3-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
3-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8245 |
| Compound Name: | 3-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 416.41 |
| Molecular Formula: | C24 H17 F N2 O4 |
| Smiles: | C(c1ccc(cc1)F)Oc1ccc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1153 |
| logD: | 2.2295 |
| logSw: | -5.1646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.022 |
| InChI Key: | YOQISUXQHUFCLO-UHFFFAOYSA-N |