3-benzyl-7-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
Compound ID: | G867-0241 |
Compound Name: | 3-benzyl-7-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
Molecular Weight: | 463.56 |
Molecular Formula: | C23 H25 N7 O2 S |
Smiles: | Cc1ccc(cc1C)S(N1CCN(CC1)c1c2c(ncn1)n(Cc1ccccc1)nn2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8244 |
logD: | 3.8243 |
logSw: | -3.8846 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.008 |
InChI Key: | SUUXFMJGVRXDIV-UHFFFAOYSA-N |