AC1MU1L7
6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: AK-968/37171093|6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid|6-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid|3-cyclohexene-1-carboxylic acid, 6-[[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]carbonyl]-|6-((3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid|6-[[(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL)AMINO]CARBONYL]CYCLOHEX-3-ENE-1-CARBOXYLIC ACID|6-[[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
| Molecular Formula | C19H22N2O3S |
|---|---|
| Molecular Weight | 358.1351 g/mol |
| LogP | 3.88428 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.1351 |
| Monoisotopic Mass | 358.1351 |
| Heavy Atoms | 25 |
| Complexity | 744.58575 |
Chemical Identifiers
| CAS Number | 354545-46-3 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3CC=CCC3C(=O)O)C#N |
Product Overview
AC1MU1L7 (CAS 354545-46-3), with molecular formula C19H22N2O3S and molecular weight 358.1351 g/mol. IUPAC: 6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.