6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-(butan-2-yl)-N~4~-methyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-(butan-2-yl)-N~4~-methyl-1,3,5-triazine-2,4-diamine
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-(butan-2-yl)-N~4~-methyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D385-0091 |
| Compound Name: | 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~-(butan-2-yl)-N~4~-methyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 370.48 |
| Molecular Formula: | C17 H22 N8 S |
| Smiles: | CCC(C)Nc1nc(NC)nc(n1)n1cnc(n1)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8754 |
| logD: | 3.872 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.294 |
| InChI Key: | GDKDOAAAYTWRED-LBPRGKRZSA-N |