3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0533 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C21 H14 Cl N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)Oc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.69 |
| logD: | 4.42 |
| logSw: | -5.5 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.47 |
| InChI Key: | SXXIKECCCKZMFZ-UHFFFAOYSA-N |