1-[(2-chloro-6-fluorophenyl)methyl]-4-{[(3-ethoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-4-{[(3-ethoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-4-{[(3-ethoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1308 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-4-{[(3-ethoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 396.89 |
| Molecular Formula: | C20 H26 Cl F N2 O3 |
| Smiles: | CCOCCCNCc1c(C(O)=O)c(C)n(Cc2c(cccc2[Cl])F)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.0593 |
| logD: | 3.0593 |
| logSw: | -3.2996 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.2 |
| InChI Key: | PQDPAOKNLVRELB-UHFFFAOYSA-N |