2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8001-7367 |
| Compound Name: | 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C17 H14 N2 O4 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6962 |
| logD: | 4.6962 |
| logSw: | -4.5136 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.8 |
| InChI Key: | HAHDLUUCSFNUSK-UHFFFAOYSA-N |