3-(3-{2-[(2-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(3-{2-[(2-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
3-(3-{2-[(2-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8236 |
| Compound Name: | 3-(3-{2-[(2-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid |
| Molecular Weight: | 432.86 |
| Molecular Formula: | C24 H17 Cl N2 O4 |
| Smiles: | C(c1ccccc1[Cl])Oc1ccccc1\C=C(/C#N)C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8081 |
| logD: | 2.9223 |
| logSw: | -5.613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.108 |
| InChI Key: | DRTKQPHIRJGRLZ-UHFFFAOYSA-N |