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Chemical ID: 4929222

Chemical ID:

4929222

Name [?]:

quinuclidin-3-yl diphenylaminoformate

SMILES [?]:

c1ccc(cc1)N(c2ccccc2)C(=O)OC3CN4CCC3CC4

InChi [?]:

InChI=1/C20H22N2O2/c23-20(24-19-15-21-13-11-16(19)12-14-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2

InChi Info:

AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,21,23,20,24,18,22,4,8,17,14,19,7,15,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:24cCCCCCCNCCCCCCCOOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;s19;s20;s17s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂N₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7551
Area:	513.95
Solvation:	-2.09367
Coulombic:	-36.7755

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	322.401
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.57
LogP (Chemaxon):	3.74

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