6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y203-8920 |
| Compound Name: | 6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(C1CC=CCC1C(O)=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2033 |
| logD: | -1.1525 |
| logSw: | -2.2046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.704 |
| InChI Key: | MRLUYNJGGLXDTR-UHFFFAOYSA-N |