3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8013-9597 |
| Compound Name: | 3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 493.9 |
| Molecular Formula: | C25 H20 Cl N3 O6 |
| Smiles: | COc1cc(ccc1NC(C(=C\c1ccc(c(c1)OCc1ccccc1[Cl])OC)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9761 |
| logD: | 3.1289 |
| logSw: | -5.2604 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.645 |
| InChI Key: | BDGHERFNISOYKI-UHFFFAOYSA-N |