2-methyl-6-({2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl}methyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-methyl-6-({2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl}methyl)-4H-3,1-benzoxazin-4-one
2-methyl-6-({2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl}methyl)-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8010-4516 |
| Compound Name: | 2-methyl-6-({2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl}methyl)-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 467.44 |
| Molecular Formula: | C26 H17 N3 O6 |
| Smiles: | CC1=Nc2ccc(Cc3ccc4c(c3)C(=O)OC(/C=C/c3ccc(cc3)[N+]([O-])=O)=N4)cc2C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.4444 |
| logD: | 4.4444 |
| logSw: | -4.5744 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.881 |
| InChI Key: | PNOBLZQHOFFGOK-UHFFFAOYSA-N |