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Chemical ID: 5866901

Chemical ID:

5866901

Name [?]:

3,4,5-trimethoxy-N-quinuclidin-3-yl-benzamide

SMILES [?]:

COc1cc(cc(c1OC)OC)C(=O)NC2CN3CCC2CC3

InChi [?]:

InChI=1/C17H24N2O4/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)18-13-10-19-6-4-11(13)5-7-19/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,12,10,20,22,19,23,4,6,17,21,5,16,3,7,8,13,15,18,14,2,11,9/E:(1,2)(4,5)(6,7)(8,9)(14,15)(21,22)/rA:23cCOCCCCCCOCOCCONCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;s18;s19;s16s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄N₂O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	6.27431
Area:	507.896
Solvation:	-6.4231
Coulombic:	-47.0475

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	320.384
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.19
LogP (Chemaxon):	0.48

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value