6-{[3-carbamoyl-4-(4-ethylphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-carbamoyl-4-(4-ethylphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-carbamoyl-4-(4-ethylphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8425 |
| Compound Name: | 6-{[3-carbamoyl-4-(4-ethylphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | CCc1ccc(cc1)c1c(C(N)=O)c(NC(C2CC=CCC2C(O)=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0489 |
| logD: | 0.6931 |
| logSw: | -3.345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.512 |
| InChI Key: | PVFSCEJMKFTQQV-UHFFFAOYSA-N |