6-(ethanesulfonyl)-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-(ethanesulfonyl)-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6010 |
| Compound Name: | 6-(ethanesulfonyl)-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 402.38 |
| Molecular Formula: | C18 H14 N2 O7 S |
| Smiles: | CCS(c1ccc2c(c1)NC(=C\C(c1ccc(cc1)[N+]([O-])=O)=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2727 |
| logD: | 2.2689 |
| logSw: | -3.0394 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.813 |
| InChI Key: | OVKMZYYXBRYURH-UHFFFAOYSA-N |