2-({1-[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({1-[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({1-[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | D385-0196 |
Compound Name: | 2-({1-[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
Molecular Weight: | 351.43 |
Molecular Formula: | C13 H21 N9 O S |
Smiles: | CC(C)(C)Nc1nc(nc(n1)n1cnc(n1)SCC(N)=O)N(C)C |
Stereo: | ACHIRAL |
logP: | 2.1921 |
logD: | 2.0526 |
logSw: | -2.6299 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 97.277 |
InChI Key: | WQOCJCIZDREEBJ-UHFFFAOYSA-N |