1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | C879-1291 |
Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 414.91 |
Molecular Formula: | C23 H24 Cl F N2 O2 |
Smiles: | Cc1c(CNCCc2ccccc2)c(C(O)=O)c(C)n1Cc1c(cccc1[Cl])F |
Stereo: | ACHIRAL |
logP: | 4.0537 |
logD: | 4.0537 |
logSw: | -4.2391 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 41.951 |
InChI Key: | UBHZHUPSBUAWTH-UHFFFAOYSA-N |