3-{3-ethoxy-4-[(4-methyl-2-oxo-1,2,5lambda~5~-oxadiazol-3-yl)methoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
3-{3-ethoxy-4-[(4-methyl-2-oxo-1,2,5lambda~5~-oxadiazol-3-yl)methoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile
3-{3-ethoxy-4-[(4-methyl-2-oxo-1,2,5lambda~5~-oxadiazol-3-yl)methoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8010-6365 |
| Compound Name: | 3-{3-ethoxy-4-[(4-methyl-2-oxo-1,2,5lambda~5~-oxadiazol-3-yl)methoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 422.4 |
| Molecular Formula: | C21 H18 N4 O6 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2ccc(cc2)[N+]([O-])=O)ccc1OCc1c(C)no[n+]1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.1673 |
| logD: | 3.1673 |
| logSw: | -3.4079 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 106.248 |
| InChI Key: | BPKHRLGWVWLHOF-UHFFFAOYSA-N |