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Chemical ID: 6000079

CCCCCC(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl

Chemical ID:

6000079

Name [?]:

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

SMILES [?]:

CCCCCC(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl

InChi [?]:

InChI=1/C24H31ClN4O3/c1-3-5-6-13-21(30)28(14-4-2)17-22(31)29-15-8-7-12-20(29)24-26-23(27-32-24)18-10-9-11-19(25)16-18/h4,9-11,16,20H,2-3,5-8,12-15,17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,11,2,10,3,4,18,17,28,27,29,19,5,9,16,31,12,26,30,20,6,13,23,21,32,22,24,8,15,7,14,25/rA:32cCCCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s8;s12;d13;s13;s15;s16;s17;s18;s15s19;s20;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁ClN₄O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.9999
Area:	727.03
Solvation:	-4.17587
Coulombic:	-47.3807

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	458.981
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.18
LogP (Chemaxon):	4.4

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