1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)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-(3-methylphenyl)ethan-1-one
1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | G866-0646 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 447.93 |
| Molecular Formula: | C23 H22 Cl N7 O |
| Smiles: | Cc1cccc(CC(N2CCN(CC2)c2c3c(ncn2)n(c2ccc(cc2)[Cl])nn3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2015 |
| logD: | 4.2015 |
| logSw: | -4.5049 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.554 |
| InChI Key: | AAFDVJBENJWGQF-UHFFFAOYSA-N |