7-nitro-3-(2-oxo-4-phenylbutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
7-nitro-3-(2-oxo-4-phenylbutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
7-nitro-3-(2-oxo-4-phenylbutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6081 |
| Compound Name: | 7-nitro-3-(2-oxo-4-phenylbutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C18 H14 N2 O5 |
| Smiles: | C(Cc1ccccc1)C(\C=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7328 |
| logD: | 2.7743 |
| logSw: | -4.2444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.285 |
| InChI Key: | LPKZJOIKAWYSLI-UHFFFAOYSA-N |