6-(ethanesulfonyl)-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-(ethanesulfonyl)-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6019 |
| Compound Name: | 6-(ethanesulfonyl)-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C16 H13 N O5 S2 |
| Smiles: | CCS(c1ccc2c(c1)NC(=C\C(c1cccs1)=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2838 |
| logD: | 2.278 |
| logSw: | -2.9616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.449 |
| InChI Key: | MQONYJDSUQOHNU-UHFFFAOYSA-N |