1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1092 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C22 H28 Cl F N2 O2 |
| Smiles: | CC1CCC(CC1)NCc1c(C(O)=O)c(C)n(Cc2ccc(cc2[Cl])F)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.5734 |
| logD: | 5.5734 |
| logSw: | -5.6585 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.626 |
| InChI Key: | NXBMAZDITNHQCU-UHFFFAOYSA-N |