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Chemical ID: 5341836
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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