4-methyl-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
Chemical Structure Depiction of
4-methyl-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
4-methyl-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | Y203-0099 |
| Compound Name: | 4-methyl-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C17 H14 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(Nc1ccccc1C1C(NC(NN=1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2648 |
| logD: | 3.1184 |
| logSw: | -3.7087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.011 |
| InChI Key: | XWKHGUBYPYQDTE-UHFFFAOYSA-N |