3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0302 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | Cc1cnc(NC(C(=C/c2ccc(cc2)OCc2ccc3c(c2)OCO3)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.07 |
| logD: | 4.02 |
| logSw: | -5.99 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.69 |
| InChI Key: | VVRVVAZLOCRTCX-UHFFFAOYSA-N |