1-{2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Chemical Structure Depiction of
1-{2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
1-{2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Compound characteristics
| Compound ID: | 8010-4595 |
| Compound Name: | 1-{2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine |
| Molecular Weight: | 568.62 |
| Molecular Formula: | C28 H27 F3 N6 O2 S |
| Smiles: | C1CN(CCN1CCSc1nnc(c2ccccc2)n1Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8687 |
| logD: | 5.0772 |
| logSw: | -6.2399 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.992 |
| InChI Key: | VDHIRWIAHYSGJU-UHFFFAOYSA-N |