AC1LLTM2
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: ChemDiv1_002723|CBKinase1_001262|CBKinase1_013662|HMS594L17|BAS 01127713|AB00097795-01|AG-690/08508031|SR-01000426826-1|BRD-K12258127-001-01-1|2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide|2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide|2-({3-CYANO-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRIDIN-2-YL}SULFANYL)-N-(4-METHOXYPHENYL)ACETAMIDE|2-(3-cyano(5,6,7,8,9-pentahydrocyclohepta[2,1-e]pyridin-2-ylthio))-N-(4-methox yphenyl)acetamide
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.13544 g/mol |
| LogP | 3.96158 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.13544 |
| Monoisotopic Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 828.1853 |
Chemical Identifiers
| CAS Number | 5808-13-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C=C3CCCCCC3=N2)C#N |
Product Overview
AC1LLTM2 (CAS 5808-13-9), with molecular formula C20H21N3O2S and molecular weight 367.13544 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
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