6-{[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-0649 |
| Compound Name: | 6-{[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C19 H17 Cl N2 O4 S |
| Smiles: | C1C=CCC(C1C(O)=O)C(Nc1c(C(N)=O)c(cs1)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3252 |
| logD: | -0.0307 |
| logSw: | -3.4596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.512 |
| InChI Key: | DIKJZBPRGIMLAY-UHFFFAOYSA-N |