3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6097 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 370.32 |
| Molecular Formula: | C18 H14 N2 O7 |
| Smiles: | COc1ccc(cc1OC)C(\C=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.982 |
| logD: | 2.8852 |
| logSw: | -3.6377 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.037 |
| InChI Key: | KHBWFDOPMWKQBA-UHFFFAOYSA-N |