3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3681-3081 |
| Compound Name: | 3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 430.21 |
| Molecular Formula: | C18 H12 Br N3 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC(C(=C\c1cc2c(cc1[Br])OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2958 |
| logD: | 1.9173 |
| logSw: | -4.4083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.884 |
| InChI Key: | HGMKIIQPTLEUGJ-UHFFFAOYSA-N |