4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2062-0796 |
| Compound Name: | 4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 352.3 |
| Molecular Formula: | C18 H12 N2 O6 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3ccc(cc3)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7028 |
| logD: | 2.7028 |
| logSw: | -3.1636 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.508 |
| InChI Key: | YASKABTXXUBIFJ-UHFFFAOYSA-N |