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Chemical ID: 5989258

Cc1ccc(cc1C)NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl

Chemical ID:

5989258

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1C)NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl

InChi [?]:

InChI=1/C22H23ClN4O2/c1-14-6-7-19(12-15(14)2)24-22(28)27-10-8-16(9-11-27)21-25-20(26-29-21)17-4-3-5-18(23)13-17/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,8,25,24,26,3,4,14,16,13,17,6,28,2,7,15,23,27,5,20,18,10,29,9,19,21,12,11,22/E:(8,9)(10,11)/rA:29nCCCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4449
Area:	648.016
Solvation:	-2.75548
Coulombic:	-43.3881

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:	4.94
LogP (Chemaxon):	5.33

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