3-(4-nitrophenyl)-N-(6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide
Chemical Structure Depiction of
3-(4-nitrophenyl)-N-(6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide
3-(4-nitrophenyl)-N-(6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 8016-3130 |
| Compound Name: | 3-(4-nitrophenyl)-N-(6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | CCCc1cc2c(cc1NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.0221 |
| logD: | 5.0207 |
| logSw: | -4.5942 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.915 |
| InChI Key: | LKWJRSFMSOAVQU-UHFFFAOYSA-N |