1-{4-[7-(3,4-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-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V030-9428 |
| Compound Name: | 1-{4-[7-(3,4-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 |
| Smiles: | CC(C)=CC(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1325 |
| logD: | 4.1317 |
| logSw: | -4.3649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.793 |
| InChI Key: | QTBOGACKXZMUDM-UHFFFAOYSA-N |