1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-methoxyphenoxy)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-methoxyphenoxy)ethan-1-one
1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | G866-0630 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(4-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C23 H22 Cl N7 O3 |
| Smiles: | COc1ccc(cc1)OCC(N1CCN(CC1)c1c2c(ncn1)n(c1ccc(cc1)[Cl])nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9936 |
| logD: | 2.9936 |
| logSw: | -3.3299 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.597 |
| InChI Key: | QWKMFUYJHNQNEG-UHFFFAOYSA-N |