1-{4-[7-(2,5-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
Chemical Structure Depiction of
1-{4-[7-(2,5-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
1-{4-[7-(2,5-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V014-0488 |
| Compound Name: | 1-{4-[7-(2,5-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one |
| Molecular Weight: | 431.32 |
| Molecular Formula: | C20 H20 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)=CC(N1CCN(CC1)c1nc2nccc(c3cc(ccc3[Cl])[Cl])n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9615 |
| logD: | 3.9607 |
| logSw: | -4.3067 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.793 |
| InChI Key: | AGZIXDPYIKRKQU-UHFFFAOYSA-N |