3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0871 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 467.86 |
| Molecular Formula: | C23 H18 Cl N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccc3c(c2)OCO3)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.21 |
| logD: | 3.69 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.2 |
| InChI Key: | LCQKXRPQIKONBI-UHFFFAOYSA-N |