6-({1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-({1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
6-({1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y508-5721 |
| Compound Name: | 6-({1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 387.86 |
| Molecular Formula: | C20 H22 Cl N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(C1CC=CCC1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5349 |
| logD: | 0.1791 |
| logSw: | -3.2184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.816 |
| InChI Key: | USIUGWOPSFXAQY-UHFFFAOYSA-N |