3-(3-allyl-4,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-(3-allyl-4,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-(3-allyl-4,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-1072 |
| Compound Name: | 3-(3-allyl-4,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C19 H19 N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(CC=C)c(c(c2)OC)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 2.47 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.09 |
| InChI Key: | MZIRNWMZHIWCNZ-UHFFFAOYSA-N |