3-(2-cyano-3-{4-methoxy-3-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(2-cyano-3-{4-methoxy-3-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoic acid
3-(2-cyano-3-{4-methoxy-3-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8250 |
| Compound Name: | 3-(2-cyano-3-{4-methoxy-3-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 472.45 |
| Molecular Formula: | C26 H20 N2 O7 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.866 |
| logD: | 1.9802 |
| logSw: | -4.5832 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.433 |
| InChI Key: | GIADFGAISOZQMP-UHFFFAOYSA-N |