2-(benzylsulfanyl)-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylsulfanyl)-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D718-0289 |
Compound Name: | 2-(benzylsulfanyl)-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 376.48 |
Molecular Formula: | C21 H20 N4 O S |
Smiles: | CC1=C(Cc2ccc(C)cc2)C(n2c(N1)nc(n2)SCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.4108 |
logD: | 4.3486 |
logSw: | -4.3239 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.702 |
InChI Key: | KYRZGSIUVXTDQD-UHFFFAOYSA-N |