3-[2-(4-bromophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-bromophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6092 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 389.16 |
| Molecular Formula: | C16 H9 Br N2 O5 |
| Smiles: | C(=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)/C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1177 |
| logD: | 4.0209 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.776 |
| InChI Key: | UGFQUEUVUMYSST-UHFFFAOYSA-N |