2-cyclohexyl-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-cyclohexyl-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-cyclohexyl-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | SB56-0728 |
Compound Name: | 2-cyclohexyl-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
Molecular Weight: | 453.97 |
Molecular Formula: | C24 H27 N5 O2 |
Salt: | HCl |
Smiles: | C1CCC(CC1)CC(N1C[C@@H](c2nc(c3ccncc3)no2)[C@@H](C1)c1cccnc1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.0457 |
logD: | 4.044 |
logSw: | -4.1901 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 66.865 |
InChI Key: | OIBWLZJWFCYLHY-RTWAWAEBSA-N |