6-({3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-({3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-({3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8236 |
| Compound Name: | 6-({3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C21 H21 F N2 O4 S |
| Smiles: | CC1CC(C(CC=1C)C(Nc1c(ccs1)C(Nc1ccccc1F)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.107 |
| logD: | 0.7512 |
| logSw: | -3.4812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.118 |
| InChI Key: | XNYRIWJDRNQUAC-UHFFFAOYSA-N |