4-[({5-[(benzylsulfanyl)methyl]-4-phenyl-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-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
4-[({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | 8016-3047 |
| Compound Name: | 4-[({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 504.68 |
| Molecular Formula: | C25 H28 N8 S2 |
| Smiles: | C1CCN(CC1)c1nc(CSc2nnc(CSCc3ccccc3)n2c2ccccc2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9709 |
| logD: | 4.9708 |
| logSw: | -4.7698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.391 |
| InChI Key: | LMXZIHCKTCSZNO-UHFFFAOYSA-N |