6-(ethanesulfonyl)-3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-(ethanesulfonyl)-3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6015 |
| Compound Name: | 6-(ethanesulfonyl)-3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C20 H19 N O6 S |
| Smiles: | CCOc1ccc(cc1)C(\C=C1/C(=O)Oc2ccc(cc2N1)S(CC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.716 |
| logD: | 2.7122 |
| logSw: | -3.3277 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.555 |
| InChI Key: | SQKHTYPFRPQLGR-UHFFFAOYSA-N |