6-(ethanesulfonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-(ethanesulfonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 8012-6093 |
| Compound Name: | 6-(ethanesulfonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 387.41 |
| Molecular Formula: | C19 H17 N O6 S |
| Smiles: | CCS(c1ccc2c(c1)NC(=C/C(c1ccc(cc1)OC)=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3294 |
| logD: | 2.3256 |
| logSw: | -2.9855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.975 |
| InChI Key: | SJNPSQQBJBGHSA-UHFFFAOYSA-N |