1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-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}-2-ethylhexan-1-one
1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V002-5260 |
| Compound Name: | 1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-1-one |
| Molecular Weight: | 475.42 |
| Molecular Formula: | C23 H28 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7713 |
| logD: | 5.769 |
| logSw: | -6.0379 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.32 |
| InChI Key: | BLQMCTXMVQLEAG-INIZCTEOSA-N |