3-(2-cyano-3-{3-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(2-cyano-3-{3-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
3-(2-cyano-3-{3-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8235 |
| Compound Name: | 3-(2-cyano-3-{3-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C25 H20 N2 O4 |
| Smiles: | Cc1ccc(COc2cccc(\C=C(/C#N)C(Nc3cccc(c3)C(O)=O)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4844 |
| logD: | 2.5985 |
| logSw: | -5.3498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.022 |
| InChI Key: | AUHRJMKAFCLPKP-UHFFFAOYSA-N |