3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 8013-9630 |
| Compound Name: | 3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide |
| Molecular Weight: | 521.32 |
| Molecular Formula: | C25 H17 Cl2 F3 N2 O3 |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)cc1OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3855 |
| logD: | 4.6239 |
| logSw: | -6.2943 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.633 |
| InChI Key: | NDPNUMATGXJIFU-UHFFFAOYSA-N |