3-benzyl-7-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
3-benzyl-7-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
3-benzyl-7-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
Compound ID: | G867-0220 |
Compound Name: | 3-benzyl-7-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
Molecular Weight: | 453.5 |
Molecular Formula: | C21 H20 F N7 O2 S |
Smiles: | C1CN(CCN1c1c2c(ncn1)n(Cc1ccccc1)nn2)S(c1ccc(cc1)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8285 |
logD: | 2.8284 |
logSw: | -3.235 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.008 |
InChI Key: | MDVZIPHNJRWLGZ-UHFFFAOYSA-N |