1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Compound characteristics
Compound ID: | K280-0554 |
Compound Name: | 1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one |
Molecular Weight: | 521.44 |
Molecular Formula: | C24 H21 Br N6 O S |
Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCC(c2ccc(cc2)[Br])=O)c(C)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 5.2198 |
logD: | 4.647 |
logSw: | -5.274 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.95 |
InChI Key: | RQLNIQIUMMTCFW-UHFFFAOYSA-N |