1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | G866-0504 |
| Compound Name: | 1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C23 H22 F N7 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CCN(CC1)c1c2c(ncn1)n(c1cccc(c1)F)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9782 |
| logD: | 2.9782 |
| logSw: | -3.0109 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.053 |
| InChI Key: | MNIYUVOFOVPUKK-UHFFFAOYSA-N |