3-[2-(furan-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(furan-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(furan-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6078 |
| Compound Name: | 3-[2-(furan-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 300.22 |
| Molecular Formula: | C14 H8 N2 O6 |
| Smiles: | C(=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)/C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4529 |
| logD: | 2.3522 |
| logSw: | -2.9776 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.355 |
| InChI Key: | OEGMDRQRMIGJCS-UHFFFAOYSA-N |