3-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
3-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8239 |
| Compound Name: | 3-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C25 H19 Cl N2 O5 |
| Smiles: | COc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)ccc1OCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4062 |
| logD: | 2.5204 |
| logSw: | -5.9398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.739 |
| InChI Key: | LRGZDVZRQLEOKY-UHFFFAOYSA-N |