6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-butyl-N~4~-ethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-butyl-N~4~-ethyl-1,3,5-triazine-2,4-diamine
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-butyl-N~4~-ethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0181 |
| Compound Name: | 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-butyl-N~4~-ethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C18 H24 N8 S |
| Smiles: | CCCCNc1nc(NCC)nc(n1)n1cnc(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6867 |
| logD: | 4.686 |
| logSw: | -4.3901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.17 |
| InChI Key: | QFRFGMSAWXKEAH-UHFFFAOYSA-N |