Chemical ID: 5341836

c1ccc(cc1)COc2ccc(cc2)C(=O)NC3CN4CCC3CC4
Chemical ID:
5341836
Name [?]:
4-benzyloxy-N-quinuclidin-3-yl-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)NC3CN4CCC3CC4
InChi [?]:
InChI=1/C21H24N2O2/c24-21(22-20-14-23-12-10-17(20)11-13-23)18-6-8-19(9-7-18)25-15-16-4-2-1-3-5-16/h1-9,17,20H,10-15H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,13,10,14,22,24,21,25,19,7,4,23,12,9,18,15,17,20,16,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25cCCCCCCCOCCCCCCCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;s20;s21;s18s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.3867
Area:556.307
Solvation:-3.52095
Coulombic:-36.3314
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):2.76

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Descriptor Annotations

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