methyl 2-(2-cyano-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoate
methyl 2-(2-cyano-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9631 |
| Compound Name: | methyl 2-(2-cyano-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C26 H22 N2 O4 |
| Smiles: | Cc1ccc(COc2ccc(\C=C(/C#N)C(Nc3ccccc3C(=O)OC)=O)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3085 |
| logD: | 3.9206 |
| logSw: | -5.4067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.09 |
| InChI Key: | VNISJBYBBCRBMN-UHFFFAOYSA-N |