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Chemical ID: 5866899
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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