4-{[(3-ethoxypropyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-{[(3-ethoxypropyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-{[(3-ethoxypropyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0985 |
| Compound Name: | 4-{[(3-ethoxypropyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 362.44 |
| Molecular Formula: | C20 H27 F N2 O3 |
| Smiles: | CCOCCCNCc1c(C(O)=O)c(C)n(Cc2ccc(cc2)F)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.4752 |
| logD: | 2.4752 |
| logSw: | -2.6408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.2 |
| InChI Key: | MCBASCLXRVWYGH-UHFFFAOYSA-N |