3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 4393-0196 |
| Compound Name: | 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 329.27 |
| Molecular Formula: | C15 H11 N3 O6 |
| Smiles: | Cc1c(C(\C=C2/C(=O)Oc3cc(ccc3N2)[N+]([O-])=O)=O)oc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4379 |
| logD: | 2.4122 |
| logSw: | -3.0032 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.287 |
| InChI Key: | YNCVETOBWBGNTP-UHFFFAOYSA-N |