1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0852 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 346.44 |
| Molecular Formula: | C20 H27 F N2 O2 |
| Smiles: | CC(C)CCNCc1c(C(O)=O)c(C)n(Cc2ccccc2F)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.6922 |
| logD: | 3.6922 |
| logSw: | -4.2788 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.223 |
| InChI Key: | KJDJACAIYCSIEG-UHFFFAOYSA-N |