6-methyl-2-[3-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
6-methyl-2-[3-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one
6-methyl-2-[3-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8005-1865 |
| Compound Name: | 6-methyl-2-[3-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C21 H14 N2 O5 |
| Smiles: | Cc1ccc2c(c1)C(=O)OC(c1cccc(c1)Oc1ccc(cc1)[N+]([O-])=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 4.6749 |
| logD: | 4.6749 |
| logSw: | -4.6264 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.315 |
| InChI Key: | KLUKQYPRMHOKIK-UHFFFAOYSA-N |