4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0934 |
| Compound Name: | 4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C25 H29 F N2 O3 |
| Smiles: | CCOc1ccc(CCNCc2c(C(O)=O)c(C)n(Cc3ccccc3F)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0876 |
| logD: | 4.0876 |
| logSw: | -4.2003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.075 |
| InChI Key: | BKKUFUZDFZOAOW-UHFFFAOYSA-N |