6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~4~-tert-butyl-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~4~-tert-butyl-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~4~-tert-butyl-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D385-0104 |
| Compound Name: | 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~4~-tert-butyl-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C18 H24 N8 S |
| Smiles: | CC(C)(C)Nc1nc(nc(n1)n1cnc(n1)SCc1ccccc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.6777 |
| logD: | 4.5382 |
| logSw: | -4.4482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.618 |
| InChI Key: | HBWVNOFAHSPFTB-UHFFFAOYSA-N |