1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1151 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 474.96 |
| Molecular Formula: | C25 H28 Cl F N2 O4 |
| Smiles: | Cc1c(CNCCc2cc(ccc2OC)OC)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.6526 |
| logD: | 4.6526 |
| logSw: | -4.6042 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.125 |
| InChI Key: | PKUIGYPWWZPUHR-UHFFFAOYSA-N |