3-benzyl-7-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
Compound ID: | G867-0219 |
Compound Name: | 3-benzyl-7-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
Molecular Weight: | 469.95 |
Molecular Formula: | C21 H20 Cl N7 O2 S |
Smiles: | C1CN(CCN1c1c2c(ncn1)n(Cc1ccccc1)nn2)S(c1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3942 |
logD: | 3.3941 |
logSw: | -3.638 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.008 |
InChI Key: | DOLMFCFSLUTHNH-UHFFFAOYSA-N |