AC1MG9HR
3,4-dimethyl-6-[(3-propoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: AK-968/41025096|3,4-dimethyl-6-{[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid|3,4-dimethyl-6-[(3-propoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid|3,4-dimethyl-6-((3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid|3,4-dimethyl-6-({[3-(propoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid|3,4-dimethyl-6-{N-[3-(propoxycarbonyl)(4,5,6-trihydrocyclopenta[1,2-d]thiophen -2-yl)]carbamoyl}cyclohex-3-enecarboxylic acid
| Molecular Formula | C21H27NO5S |
|---|---|
| Molecular Weight | 405.16098 g/mol |
| LogP | 4.1893 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.16098 |
| Monoisotopic Mass | 405.16098 |
| Heavy Atoms | 28 |
| Complexity | 838.0941 |
Chemical Identifiers
| CAS Number | 445239-80-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CC(=C(CC3C(=O)O)C)C |
Product Overview
AC1MG9HR (CAS 445239-80-5), with molecular formula C21H27NO5S and molecular weight 405.16098 g/mol. IUPAC: 3,4-dimethyl-6-[(3-propoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.