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Chemical ID: 6000114

CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccccc4

Chemical ID:

6000114

Name [?]:

N-butyl-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]benzamide

SMILES [?]:

CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccccc4

InChi [?]:

InChI=1/C26H29ClN4O3/c1-2-3-15-30(26(33)19-10-5-4-6-11-19)18-23(32)31-16-8-7-14-22(31)25-28-24(29-34-25)20-12-9-13-21(27)17-20/h4-6,9-13,17,22H,2-3,7-8,14-16,18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,32,31,33,12,11,22,30,34,21,23,13,4,10,25,6,29,20,24,14,7,17,15,27,26,16,18,5,9,8,28,19/E:(5,6)(10,11)/rA:34cCCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s5;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉ClN₄O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5393
Area:	707.075
Solvation:	-4.13761
Coulombic:	-48.6693

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	480.986
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.67
LogP (Chemaxon):	4.78

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