2-(3-methylphenyl)-1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
2-(3-methylphenyl)-1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
Compound ID: | G866-0247 |
Compound Name: | 2-(3-methylphenyl)-1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one |
Molecular Weight: | 427.51 |
Molecular Formula: | C24 H25 N7 O |
Smiles: | Cc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)C(Cc2cccc(C)c2)=O)nn1 |
Stereo: | ACHIRAL |
logP: | 4.0302 |
logD: | 4.0301 |
logSw: | -4.1119 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 66.554 |
InChI Key: | KNIGSJAOHZWMSD-UHFFFAOYSA-N |