1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2026 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C23 H24 Cl F N2 O2 |
| Smiles: | Cc1ccccc1CNCc1c(C(O)=O)c(C)n(Cc2c(cccc2[Cl])F)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.0789 |
| logD: | 5.0789 |
| logSw: | -5.0506 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | UBWLBWXGGYVVEP-UHFFFAOYSA-N |