1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1900 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 418.87 |
| Molecular Formula: | C22 H21 Cl F2 N2 O2 |
| Smiles: | Cc1c(CNCc2ccccc2F)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.8148 |
| logD: | 4.8148 |
| logSw: | -4.6144 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | BKEKBITUYOWQLF-UHFFFAOYSA-N |