2-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile
2-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V006-1772 |
| Compound Name: | 2-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 514.39 |
| Molecular Formula: | C22 H17 Cl2 N7 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2073 |
| logD: | 4.2072 |
| logSw: | -4.5169 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.168 |
| InChI Key: | JAOOJVRBQCLODC-UHFFFAOYSA-N |