1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1908 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 446.97 |
| Molecular Formula: | C23 H24 Cl F N2 O2 S |
| Smiles: | Cc1c(CNCc2ccc(cc2)SC)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.1944 |
| logD: | 5.1944 |
| logSw: | -5.4081 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | LRCWDEHVVIDYET-UHFFFAOYSA-N |