2-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
2-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | D391-0097 |
| Compound Name: | 2-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C18 H14 N2 O6 |
| Smiles: | [H]C([H])(C(c1ccc(cc1)[N+]([O-])=O)=O)N1C(C(C)Oc2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9231 |
| logD: | 1.9231 |
| logSw: | -2.8927 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.816 |
| InChI Key: | GWUBUKBNRGBOBP-NSHDSACASA-N |