2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-8477 |
| Compound Name: | 2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 533.49 |
| Molecular Formula: | C22 H18 F3 N7 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1c1nc2nccc(c3cccc(c3)C(F)(F)F)n2n1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9158 |
| logD: | 3.9157 |
| logSw: | -4.2118 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.493 |
| InChI Key: | DGGFMVZFBMFDTP-UHFFFAOYSA-N |