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Chemical ID: 5995047

Cc1ccc(c(c1)C)NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl

Chemical ID:

5995047

Name [?]:

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)-piperidine-1-carboxamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H23ClN4O2/c1-14-5-10-19(15(2)12-14)24-22(28)27-11-3-4-17(13-27)21-25-20(26-29-21)16-6-8-18(23)9-7-16/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,8,14,15,3,24,28,25,27,4,13,7,17,2,6,23,16,26,5,20,18,10,29,9,19,21,12,11,22/E:(6,7)(8,9)/rA:29cCCCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5864
Area:	645.185
Solvation:	-2.54327
Coulombic:	-43.8892

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	410.896
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.73
LogP (Chemaxon):	4.83

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