methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9649 |
| Compound Name: | methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C27 H23 F N2 O5 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccccc2C(=O)OC)=O)ccc1OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.785 |
| logD: | 3.3971 |
| logSw: | -4.8088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | PBEUKCHGKDPLTC-UHFFFAOYSA-N |