3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4384-0773 |
| Compound Name: | 3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 5.54 |
| logD: | 5.53 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139 |
| InChI Key: | ROTGCXNMMNMECW-UHFFFAOYSA-N |