7-nitro-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
7-nitro-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
7-nitro-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 8010-3466 |
| Compound Name: | 7-nitro-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 310.26 |
| Molecular Formula: | C16 H10 N2 O5 |
| Smiles: | C(=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)\C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1787 |
| logD: | 3.0819 |
| logSw: | -3.6823 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.776 |
| InChI Key: | KVWMEQMRMSFRBD-UHFFFAOYSA-N |