N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y042-3722 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8971 |
| logD: | 2.8971 |
| logSw: | -3.6445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.082 |
| InChI Key: | HXKRHHFKDDWCCB-UHFFFAOYSA-N |