1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1891 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C23 H24 Cl F N2 O2 |
| Smiles: | Cc1cccc(CNCc2c(C(O)=O)c(C)n(Cc3ccc(cc3[Cl])F)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1636 |
| logD: | 5.1636 |
| logSw: | -5.2502 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | QHYGCPDDMYOUNJ-UHFFFAOYSA-N |