6-methyl-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-methyl-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-methyl-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6035 |
| Compound Name: | 6-methyl-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | Cc1ccc2c(c1)NC(=C\C(c1cccc(c1)[N+]([O-])=O)=O)\C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.3569 |
| logD: | 3.3568 |
| logSw: | -3.7355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.776 |
| InChI Key: | NFZLYCPBJKKTGA-UHFFFAOYSA-N |