3-[2-(4-chlorophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-chlorophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 8012-8910 |
| Compound Name: | 3-[2-(4-chlorophenyl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 391.83 |
| Molecular Formula: | C18 H14 Cl N O5 S |
| Smiles: | CCS(c1ccc2c(c1)NC(=C/C(c1ccc(cc1)[Cl])=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9418 |
| logD: | 2.938 |
| logSw: | -3.6441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.431 |
| InChI Key: | YGWYBAFCNPHOTH-UHFFFAOYSA-N |