4-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile
4-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V004-0377 |
| Compound Name: | 4-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 465.56 |
| Molecular Formula: | C27 H27 N7 O |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)c1ccnc2nc(nn12)N1CCN(CC1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.553 |
| logD: | 4.5529 |
| logSw: | -4.274 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.105 |
| InChI Key: | LIUSPNWRRZSRRA-UHFFFAOYSA-N |