3-(2,4-dinitroanilino)-6-(4-fluorophenyl)-2,3-dihydro-4H-1,3-oxazin-4-one
Chemical Structure Depiction of
3-(2,4-dinitroanilino)-6-(4-fluorophenyl)-2,3-dihydro-4H-1,3-oxazin-4-one
3-(2,4-dinitroanilino)-6-(4-fluorophenyl)-2,3-dihydro-4H-1,3-oxazin-4-one
Compound characteristics
| Compound ID: | 5909-0014 |
| Compound Name: | 3-(2,4-dinitroanilino)-6-(4-fluorophenyl)-2,3-dihydro-4H-1,3-oxazin-4-one |
| Molecular Weight: | 374.28 |
| Molecular Formula: | C16 H11 F N4 O6 |
| Smiles: | C1N(C(C=C(c2ccc(cc2)F)O1)=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4056 |
| logD: | 3.4041 |
| logSw: | -3.8313 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.985 |
| InChI Key: | AALGFUUJXSXHJI-UHFFFAOYSA-N |