1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-4-phenylbutan-1-one
1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | G866-0254 |
| Compound Name: | 1-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 441.54 |
| Molecular Formula: | C25 H27 N7 O |
| Smiles: | Cc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)C(CCCc2ccccc2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2278 |
| logD: | 4.2278 |
| logSw: | -4.2695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.554 |
| InChI Key: | VQEFHUMJDNSIBG-UHFFFAOYSA-N |