3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0876 |
| Compound Name: | 3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C24 H18 N4 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.47 |
| logD: | 2.53 |
| logSw: | -5 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 186.28 |
| InChI Key: | WTVMAWIZSVAINA-UHFFFAOYSA-N |