3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0247 |
| Compound Name: | 3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 458.31 |
| Molecular Formula: | C20 H13 Br F N3 O2 S |
| Smiles: | C(c1ccc(cc1)F)Oc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 4.49 |
| logSw: | -5.49 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.04 |
| InChI Key: | AIFCGXXNQSSMKL-UHFFFAOYSA-N |