3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0153 |
| Compound Name: | 3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 297.27 |
| Molecular Formula: | C15 H11 N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc3c(c2)OCO3)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.99 |
| logD: | 1.47 |
| logSw: | -3.81 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.7 |
| InChI Key: | DOZQKVAZWRMPTN-UHFFFAOYSA-N |