6-[(3-chloro-4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(3-chloro-4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-[(3-chloro-4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-7408 |
| Compound Name: | 6-[(3-chloro-4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 325.77 |
| Molecular Formula: | C16 H17 Cl F N O3 |
| Smiles: | CC1CC(C(CC=1C)C(Nc1ccc(c(c1)[Cl])F)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2232 |
| logD: | 0.8674 |
| logSw: | -3.1146 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.93 |
| InChI Key: | ZSCYJINYFFACSA-UHFFFAOYSA-N |