2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
Chemical Structure Depiction of
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | Y502-6705 |
| Compound Name: | 2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole |
| Molecular Weight: | 449.86 |
| Molecular Formula: | C21 H19 Cl F3 N5 O |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])c1nnc(c2cccc(c2)C(F)(F)F)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2329 |
| logD: | 5.2329 |
| logSw: | -5.9894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.848 |
| InChI Key: | KXTSFVVLADRLES-UHFFFAOYSA-N |