6-{[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8422 |
| Compound Name: | 6-{[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | Cc1ccc(cc1C)c1csc(c1C(N)=O)NC(C1CC=CCC1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6545 |
| logD: | 0.2987 |
| logSw: | -3.1959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.512 |
| InChI Key: | XVAVCBYNMLTFDK-UHFFFAOYSA-N |