3-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine-1-sulfonyl)benzonitrile
3-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | V002-8504 |
| Compound Name: | 3-(4-{7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 513.5 |
| Molecular Formula: | C23 H18 F3 N7 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6963 |
| logD: | 3.6961 |
| logSw: | -4.2182 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.168 |
| InChI Key: | WKBHBODLDVSJET-UHFFFAOYSA-N |