3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6013 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C20 H19 N O7 S |
| Smiles: | CCS(c1ccc2c(c1)NC(=C\C(c1ccc(c(c1)OC)OC)=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0453 |
| logD: | 2.0415 |
| logSw: | -2.8521 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.692 |
| InChI Key: | XBDISTQMBUFAMD-UHFFFAOYSA-N |