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Chemical ID: 5988129

Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)COc4ccc(cc4)Cl

Chemical ID:

5988129

Name [?]:

2-(4-chlorophenoxy)-1-[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone

SMILES [?]:

Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H22ClN3O3/c1-15-3-2-4-17(13-15)21-24-22(29-25-21)16-9-11-26(12-10-16)20(27)14-28-19-7-5-18(23)6-8-19/h2-8,13,16H,9-12,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,3,5,25,27,24,28,14,18,15,17,7,21,2,13,6,26,23,19,8,10,29,9,12,16,20,22,11/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCCNCONCCCNCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4504
Area:	651.08
Solvation:	-4.82664
Coulombic:	-36.8909

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	411.881
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.69
LogP (Chemaxon):	4.23

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value