1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1152 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 461 |
| Molecular Formula: | C24 H26 Cl F N2 O2 S |
| Smiles: | Cc1c(CNCCc2ccc(cc2)SC)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.0224 |
| logD: | 5.0224 |
| logSw: | -4.8733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.951 |
| InChI Key: | KELNIZRNZSTFTR-UHFFFAOYSA-N |