2-(4,5-dimethoxy-2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Chemical Structure Depiction of
2-(4,5-dimethoxy-2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
2-(4,5-dimethoxy-2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8018-7210 |
| Compound Name: | 2-(4,5-dimethoxy-2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one |
| Molecular Weight: | 330.29 |
| Molecular Formula: | C16 H14 N2 O6 |
| Smiles: | COc1cc(C2NC(c3ccccc3O2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1226 |
| logD: | 2.1226 |
| logSw: | -3.023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.901 |
| InChI Key: | TYYMQPOUQDCAFS-INIZCTEOSA-N |