3-fluoro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-fluoro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
3-fluoro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 2515-5376 |
| Compound Name: | 3-fluoro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C16 H13 F N4 O S |
| Smiles: | C(C1=NNC(N1c1ccccc1)=S)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.616 |
| logD: | 1.7654 |
| logSw: | -3.0491 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | XTLLCPMUKCDOQL-UHFFFAOYSA-N |