7-[4-(3-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
7-[4-(3-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
7-[4-(3-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
Compound ID: | G867-0055 |
Compound Name: | 7-[4-(3-fluorobenzene-1-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
Molecular Weight: | 453.5 |
Molecular Formula: | C21 H20 F N7 O2 S |
Smiles: | Cc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)S(c2cccc(c2)F)(=O)=O)nn1 |
Stereo: | ACHIRAL |
logP: | 3.4196 |
logD: | 3.4196 |
logSw: | -3.6784 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.144 |
InChI Key: | CNAOQJNGQCXMSF-UHFFFAOYSA-N |