{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}[2-(methylsulfanyl)phenyl]methanone
Chemical Structure Depiction of
{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}[2-(methylsulfanyl)phenyl]methanone
{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}[2-(methylsulfanyl)phenyl]methanone
Compound characteristics
| Compound ID: | G866-0657 |
| Compound Name: | {4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}[2-(methylsulfanyl)phenyl]methanone |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C22 H20 Cl N7 O S |
| Smiles: | CSc1ccccc1C(N1CCN(CC1)c1c2c(ncn1)n(c1ccc(cc1)[Cl])nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6419 |
| logD: | 3.6418 |
| logSw: | -4.0787 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.081 |
| InChI Key: | NLVFROXJDCGKQT-UHFFFAOYSA-N |