4-({[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-({[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
4-({[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | 8016-5748 |
| Compound Name: | 4-({[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 413.46 |
| Molecular Formula: | C17 H19 N9 O2 S |
| Smiles: | C1CCN(CC1)c1nc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)[nH]2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.963 |
| logD: | 1.4834 |
| logSw: | -3.3995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.558 |
| InChI Key: | ABFIIZHXKKOAJJ-UHFFFAOYSA-N |