Chemical ID: 5866899

CCOc1cc(cc(c1OCC)OCC)C(=O)NC2CN3CCC2CC3
Chemical ID:
5866899
Name [?]:
3,4,5-triethoxy-N-quinuclidin-3-yl-benzamide
SMILES [?]:
CCOc1cc(cc(c1OCC)OCC)C(=O)NC2CN3CCC2CC3
InChi [?]:
InChI=1/C20H30N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)21-16-13-22-9-7-14(16)8-10-22/h11-12,14,16H,4-10,13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,12,2,14,11,23,25,22,26,5,7,20,24,6,19,4,8,9,16,18,21,17,3,13,10/E:(1,2)(4,5)(7,8)(9,10)(11,12)(17,18)(24,25)/rA:26cCCOCCCCCCOCCOCCCONCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;s14;s6;d16;s16;s18;s19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.64597
Area:592.786
Solvation:-6.17369
Coulombic:-47.8163
Bond Count [?]
All:28
Single:24
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:362.463
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.46
LogP (Chemaxon):1.51

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Descriptor Annotations

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