4-fluoro-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
Chemical Structure Depiction of
4-fluoro-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
4-fluoro-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | Y203-0001 |
| Compound Name: | 4-fluoro-N-[2-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)phenyl]benzamide |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C16 H11 F N4 O2 S |
| Smiles: | c1ccc(c(c1)C1C(NC(NN=1)=S)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8705 |
| logD: | 2.5469 |
| logSw: | -3.8526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.011 |
| InChI Key: | XXKZZHYCBBEXNS-UHFFFAOYSA-N |