6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-7407 |
| Compound Name: | 6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 376.47 |
| Molecular Formula: | C19 H24 N2 O4 S |
| Smiles: | CC1CC(C(CC=1C)C(Nc1c(C(N)=O)c2CCCCc2s1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5738 |
| logD: | -0.782 |
| logSw: | -2.4076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.704 |
| InChI Key: | VKEVUPIIATWBTD-UHFFFAOYSA-N |