6-[(5-fluoro-2-methylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(5-fluoro-2-methylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-[(5-fluoro-2-methylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9540 |
| Compound Name: | 6-[(5-fluoro-2-methylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C17 H20 F N O3 |
| Smiles: | CC1CC(C(CC=1C)C(Nc1cc(ccc1C)F)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7139 |
| logD: | 0.3581 |
| logSw: | -2.8872 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.232 |
| InChI Key: | VFNLBAQNDSQIRW-UHFFFAOYSA-N |