1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(furan-2-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(furan-2-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(furan-2-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1915 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(furan-2-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C21 H22 Cl F N2 O3 |
| Smiles: | Cc1c(CNCCc2ccco2)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.8652 |
| logD: | 3.8652 |
| logSw: | -4.073 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.7 |
| InChI Key: | GSMHZPJYMOKCNL-UHFFFAOYSA-N |