2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | G866-0765 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-{4-[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C25 H27 N7 O4 |
| Smiles: | COc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)C(Cc2ccc(c(c2)OC)OC)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.5156 |
| logD: | 2.5155 |
| logSw: | -2.6984 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.359 |
| InChI Key: | CZLHTIXHJXTRAT-UHFFFAOYSA-N |