1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1150 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C25 H28 Cl F N2 O3 |
| Smiles: | CCOc1ccc(CCNCc2c(C(O)=O)c(C)n(Cc3ccc(cc3[Cl])F)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.672 |
| logD: | 4.672 |
| logSw: | -4.5625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.075 |
| InChI Key: | VJRZCJNSIOQHBM-UHFFFAOYSA-N |