methyl 5-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
Chemical Structure Depiction of
methyl 5-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
methyl 5-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
Compound characteristics
| Compound ID: | V006-0227 |
| Compound Name: | methyl 5-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate |
| Molecular Weight: | 477.35 |
| Molecular Formula: | C21 H22 Cl2 N6 O3 |
| Salt: | not_available |
| Smiles: | COC(CCCC(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0272 |
| logD: | 3.0253 |
| logSw: | -3.4839 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | PKCPIWGJALDUJH-UHFFFAOYSA-N |