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Chemical ID: 5997632

CCCC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl

Chemical ID:

5997632

Name [?]:

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

SMILES [?]:

CCCC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C26H29ClN4O3/c1-2-8-23(32)30(17-19-9-4-3-5-10-19)18-24(33)31-16-7-6-11-22(31)26-28-25(29-34-26)20-12-14-21(27)15-13-20/h3-5,9-10,12-15,22H,2,6-8,11,16-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,11,10,12,20,19,3,9,13,21,29,33,30,32,18,7,14,8,28,31,22,4,15,25,23,34,24,26,6,17,5,16,27/E:(4,5)(9,10)(12,13)(14,15)/rA:34cCCCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s24;d25;s23s26;s25;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.5076
Area:	729.432
Solvation:	-4.72818
Coulombic:	-46.5071

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:	5.14
LogP (Chemaxon):	4.64

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