2-(2H-1,3-benzodioxol-5-yl)-5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-1,3,4-oxadiazole
2-(2H-1,3-benzodioxol-5-yl)-5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | Y502-6706 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-1,3,4-oxadiazole |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])c1nnc(c2ccc3c(c2)OCO3)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3519 |
| logD: | 4.3519 |
| logSw: | -4.6386 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.963 |
| InChI Key: | OMJQAYNWUDRGGO-UHFFFAOYSA-N |