3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0172 |
| Compound Name: | 3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 2.71 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.94 |
| InChI Key: | TUBOPSHMIRGWKV-UHFFFAOYSA-N |