4-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1826 |
| Compound Name: | 4-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C23 H24 Cl F N2 O2 |
| Smiles: | Cc1c(CNCCc2ccccc2[Cl])c(C(O)=O)c(C)n1Cc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.5555 |
| logD: | 4.5555 |
| logSw: | -4.4249 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.951 |
| InChI Key: | ISMUKESQLWSEQJ-UHFFFAOYSA-N |