N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Compound characteristics
Compound ID: | K280-0380 |
Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide |
Molecular Weight: | 573.72 |
Molecular Formula: | C30 H35 N7 O3 S |
Smiles: | CCC(C(NCCc1ccc(c(c1)OC)OC)=O)Sc1nc2ccccc2c2nc(CCn3c(C)cc(C)n3)nn12 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5334 |
logD: | 3.3918 |
logSw: | -3.7065 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.56 |
InChI Key: | NEXZUUWJLGGAPB-SANMLTNESA-N |