3-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
3-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8013-9616 |
| Compound Name: | 3-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 458.27 |
| Molecular Formula: | C20 H16 Br N3 O5 |
| Smiles: | COc1cc(ccc1NC(C(=C\c1cc(ccc1OCC=C)[Br])\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2055 |
| logD: | 3.6561 |
| logSw: | -5.1355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.204 |
| InChI Key: | SDSQDVNCAATJBT-UHFFFAOYSA-N |