2-(adamantan-1-yl)-5-(4-bromo-1-ethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-(4-bromo-1-ethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole
2-(adamantan-1-yl)-5-(4-bromo-1-ethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole
Compound characteristics
Compound ID: | Y502-6886 |
Compound Name: | 2-(adamantan-1-yl)-5-(4-bromo-1-ethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole |
Molecular Weight: | 377.28 |
Molecular Formula: | C17 H21 Br N4 O |
Smiles: | CCn1cc(c(c2nnc(C34CC5CC(CC(C5)C4)C3)o2)n1)[Br] |
Stereo: | ACHIRAL |
logP: | 4.1071 |
logD: | 4.1071 |
logSw: | -4.0648 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 45.564 |
InChI Key: | JBJSHOITQSWXCC-UHFFFAOYSA-N |