N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2562 |
| Compound Name: | N-{[4-(4-fluorophenyl)-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(N1c1ccc(cc1)F)=S)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5388 |
| logD: | 1.6882 |
| logSw: | -2.7856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | XWWPUNISSHAIHC-UHFFFAOYSA-N |