methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9647 |
| Compound Name: | methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C25 H19 F N2 O4 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1ccc(cc1)OCc1ccc(cc1)F)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9142 |
| logD: | 3.5262 |
| logSw: | -4.8384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.09 |
| InChI Key: | WGRSULWHDLUJFH-UHFFFAOYSA-N |