1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G866-0643 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 451.89 |
| Molecular Formula: | C22 H19 Cl F N7 O |
| Smiles: | C(C(N1CCN(CC1)c1c2c(ncn1)n(c1ccc(cc1)[Cl])nn2)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.5384 |
| logD: | 3.5384 |
| logSw: | -3.6572 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.554 |
| InChI Key: | RVANPUWCCHBBGB-UHFFFAOYSA-N |