7-nitro-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
7-nitro-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
7-nitro-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6091 |
| Compound Name: | 7-nitro-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 355.26 |
| Molecular Formula: | C16 H9 N3 O7 |
| Smiles: | C(=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)/C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2094 |
| logD: | 3.1127 |
| logSw: | -3.672 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.158 |
| InChI Key: | OQWXWTWQIGDDET-UHFFFAOYSA-N |