AC1MRGWW
3-[(6-ethyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: CBMicro_046636|Oprea1_376751|BIM-0046676.P001|2-[(6-ethyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid|3-({6-ethyl-3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid|3-(N-{6-ethyl-3-[(methylethyl)oxycarbonyl]-4,5,6,7-tetrahydrobenzo[b]thiophen- 2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C23H31NO5S |
|---|---|
| Molecular Weight | 433.1923 g/mol |
| LogP | 4.5136 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.1923 |
| Monoisotopic Mass | 433.1923 |
| Heavy Atoms | 30 |
| Complexity | 860.0201 |
Chemical Identifiers
| CAS Number | 473446-69-4 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3C4CCC(C4)C3C(=O)O |
Product Overview
AC1MRGWW (CAS 473446-69-4), with molecular formula C23H31NO5S and molecular weight 433.1923 g/mol. IUPAC: 3-[(6-ethyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.