2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester

CAS

913388-55-3

Catalog Number

ACM913388553

Category

Other Products

Molecular Formula

C₂₃H₃₂BN₃O₇

MSDS COA Spec Sheet

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Specification

Synonyms

1H-Indole-1-carboxylic acid, 2-borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-, 1-(1,1-dimethylethyl) ester

What is the molecular formula of 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?

The molecular formula is C23H32BN3O7.

What is the PubChem CID of 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?

The PubChem CID is 57355733.

What is the CAS number of 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?

The CAS number is 913388-55-3.

What is the IUPAC name of 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?

The IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]indol-2-yl]boronic acid.

What is the InChI of 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?

The InChI is "InChI=1S/C23H32BN3O7/c1-22(2,3)33-20(29)26-11-9-25(10-12-26)19(28)15-7-8-17-16(13-15)14-18(24(31)32)27(17)21(30)34-23(4,5)6/h7-8,13-14,31-32H,9-12H2,1-6H3".

What is the molecular weight of 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?

The molecular weight is 473.3 g/mol.

How many hydrogen bond donor counts does 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester have?

It has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester have?

It has 6 rotatable bond counts.

Is 2-Borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester a canonicalized compound?

Yes, it is a canonicalized compound.

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