3-Furancarboxylic acid,5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-,ethyl ester

CAS

960521-67-9

Catalog Number

ACM960521679

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of the compound?

The molecular formula of the compound is C31H35N3O4.

What are the synonyms for the compound?

The synonyms for the compound are 960521-67-9 and SCHEMBL14370244.

What is the computed IUPAC name of the compound?

The computed IUPAC name of the compound is ethyl 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]furan-3-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C31H35N3O4/c1-5-37-31(36)25-18-27(38-30(25)34(20(2)3)29(35)24-11-9-21(4)10-12-24)23-15-13-22(14-16-23)26-19-33-17-7-6-8-28(33)32-26/h6-8,13-21,24H,5,9-12H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is YDHNVSDLKJBCFX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)C3=CN4C=CC=CC4=N3)N(C(C)C)C(=O)C5CCC(CC5)C.

What is the molecular weight of the compound?

The molecular weight of the compound is 513.6 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 7.2.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 8 rotatable bond counts.