2-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile
2-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V006-1760 |
| Compound Name: | 2-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C26 H27 N7 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1ccnc2nc(nn12)N1CCN(CC1)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8413 |
| logD: | 4.8412 |
| logSw: | -4.6036 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.168 |
| InChI Key: | YXHFAQWVPBNIAS-UHFFFAOYSA-N |