N-[4-(dimethylamino)phenyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-[4-(dimethylamino)phenyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | K280-0328 |
Compound Name: | N-[4-(dimethylamino)phenyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
Molecular Weight: | 500.63 |
Molecular Formula: | C26 H28 N8 O S |
Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCC(Nc2ccc(cc2)N(C)C)=O)n1 |
Stereo: | ACHIRAL |
logP: | 3.4663 |
logD: | 3.3646 |
logSw: | -3.8746 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.727 |
InChI Key: | ZAQRSZNUNXINQS-UHFFFAOYSA-N |