2-(2-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-(2-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-(2-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
Compound ID: | 5930-0134 |
Compound Name: | 2-(2-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
Molecular Weight: | 340.29 |
Molecular Formula: | C17 H12 N2 O6 |
Smiles: | CC(=O)Oc1ccc2c(c1)C(=O)OC(c1cccc(c1C)[N+]([O-])=O)=N2 |
Stereo: | ACHIRAL |
logP: | 2.3648 |
logD: | 2.3648 |
logSw: | -2.9747 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 84.017 |
InChI Key: | QLFGUZYENLIHIC-UHFFFAOYSA-N |