2-methoxy-5-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-methoxy-5-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-methoxy-5-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
Compound ID: | K074-6580 |
Compound Name: | 2-methoxy-5-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
Molecular Weight: | 382.33 |
Molecular Formula: | C19 H14 N2 O7 |
Smiles: | CC(=O)Oc1cc(\C=C2/C(=O)OC(c3ccc(cc3)[N+]([O-])=O)=N2)ccc1OC |
Stereo: | ACHIRAL |
logP: | 2.8864 |
logD: | 2.8864 |
logSw: | -3.4321 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 92.225 |
InChI Key: | PDVWACKEYFMRHS-UHFFFAOYSA-N |