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Chemical ID: 6314731

c1ccc(cc1)c2nnc(o2)c3cccc(c3)NC(=O)COc4ccc(cc4)Cl

Chemical ID:

6314731

Name [?]:

2-(4-chlorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-acetamide

SMILES [?]:

c1ccc(cc1)c2nnc(o2)c3cccc(c3)NC(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H16ClN3O3/c23-17-9-11-19(12-10-17)28-14-20(27)24-18-8-4-7-16(13-18)22-26-25-21(29-22)15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,3,5,13,15,25,27,24,28,17,21,4,12,26,16,23,19,7,10,29,18,8,9,20,22,11/E:(2,3)(5,6)(9,10)(11,12)/rA:29nCCCCCCCNNCOCCCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5646
Area:	648.388
Solvation:	-4.64506
Coulombic:	-44.9333

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	405.834
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.12
LogP (Chemaxon):	4.54

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

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

Chemical Mix	Source	External ID	Descriptor	Value