3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3681-3059 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 351.32 |
| Molecular Formula: | C18 H13 N3 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC(C(=C\c1ccc2c(c1)OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9315 |
| logD: | 2.4787 |
| logSw: | -4.1031 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.884 |
| InChI Key: | QXLATHKDFQIMOI-UHFFFAOYSA-N |