3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 4393-0208 |
| Compound Name: | 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C15 H10 N2 O6 |
| Smiles: | Cc1ccc(C(\C=C2/C(=O)Oc3cc(ccc3N2)[N+]([O-])=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0582 |
| logD: | 2.9575 |
| logSw: | -3.5146 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.869 |
| InChI Key: | AOJBUXZFVDBKEG-UHFFFAOYSA-N |