3-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
3-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-1441 |
| Compound Name: | 3-{[2-(2-methoxy-5-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)Oc1cccc(\C=C2/C(=O)OC(c3cc(ccc3OC)[N+]([O-])=O)=N2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3475 |
| logD: | 2.3475 |
| logSw: | -2.9936 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.139 |
| InChI Key: | MDQFHRXKAYIXNV-UHFFFAOYSA-N |