3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0006 |
| Compound Name: | 3-[4-(benzyloxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 395.87 |
| Molecular Formula: | C20 H14 Cl N3 O2 S |
| Smiles: | C(c1ccccc1)Oc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | 4.5 |
| logSw: | -5.48 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.67 |
| InChI Key: | BLTZGZYMFSHADF-UHFFFAOYSA-N |