2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
Chemical Structure Depiction of
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | Y502-7353 |
| Compound Name: | 2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole |
| Molecular Weight: | 425.92 |
| Molecular Formula: | C22 H24 Cl N5 O2 |
| Smiles: | COc1ccc(Cc2nnc(C34CC5CC(C3)CC(C5)(C4)n3cnc(n3)[Cl])o2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4101 |
| logD: | 4.4101 |
| logSw: | -4.4744 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.057 |
| InChI Key: | IEQATZCHYMHGLN-UHFFFAOYSA-N |