2-methoxy-4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-methoxy-4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-methoxy-4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2125-0494 |
| Compound Name: | 2-methoxy-4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 396.35 |
| Molecular Formula: | C20 H16 N2 O7 |
| Smiles: | CC(=O)Oc1ccc(\C=C2/C(=O)OC(c3ccc(C)c(c3)[N+]([O-])=O)=N2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1323 |
| logD: | 3.1323 |
| logSw: | -3.4606 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.924 |
| InChI Key: | WBXYZNYUGMIWAU-UHFFFAOYSA-N |