3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0028 |
| Compound Name: | 3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C20 H13 Cl F N3 O2 S |
| Smiles: | C(c1ccc(cc1)F)Oc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8 |
| logD: | 4.53 |
| logSw: | -5.7 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.6 |
| InChI Key: | NJWFLWPYTXZQBF-UHFFFAOYSA-N |