methyl 6-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
Chemical Structure Depiction of
methyl 6-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
methyl 6-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
Compound characteristics
| Compound ID: | V003-1272 |
| Compound Name: | methyl 6-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C22 H24 Cl2 N6 O3 |
| Salt: | not_available |
| Smiles: | COC(CCCCC(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2698 |
| logD: | 3.2679 |
| logSw: | -3.5797 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | KAAUDGLAMURXDO-UHFFFAOYSA-N |