Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)

CAS

912481-97-1

Catalog Number

ACM912481971

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The molecular formula is C21H25ClN4O4.

What are the synonyms of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The synonyms are 912481-97-1 and Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci).

What is the molecular weight of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The molecular weight is 432.9 g/mol.

What is the IUPAC name of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The IUPAC name is tert-butyl N-[4-[(7-chloroisoquinoline-3-carbonyl)amino]-1-formylpiperidin-3-yl]carbamate.

What is the InChI of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The InChI is InChI=1S/C21H25ClN4O4/c1-21(2,3)30-20(29)25-18-11-26(12-27)7-6-16(18)24-19(28)17-9-13-4-5-15(22)8-14(13)10-23-17/h4-5,8-10,12,16,18H,6-7,11H2,1-3H3,(H,24,28)(H,25,29).

What is the InChIKey of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The InChIKey is GLKUITYIGALUSF-UHFFFAOYSA-N.

What is the canonical SMILES of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The canonical SMILES is CC(C)(C)OC(=O)NC1CN(CCC1NC(=O)C2=NC=C3C=C(C=CC3=C2)Cl)C=O.

What is the XLogP3-AA value of Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci)?

The XLogP3-AA value is 2.8.

How many hydrogen bond donor counts does Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci) have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Carbamic acid,[4-[[(7-chloro-3-isoquinolinyl)carbonyl]amino]-1-formyl-3-piperidinyl]-,1,1-dimethylethyl ester(9ci) have?

It has 5 hydrogen bond acceptor counts.

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