6-{[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-{[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8269 |
| Compound Name: | 6-{[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Smiles: | CCc1c(C(NC2CC2)=O)c(NC(C2CC(C)=C(C)CC2C(O)=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0786 |
| logD: | 0.7228 |
| logSw: | -3.3699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.194 |
| InChI Key: | IPGQQYQCIHVJOH-UHFFFAOYSA-N |