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Chemical ID: 6000074

Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl

Chemical ID:

6000074

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl

InChi [?]:

InChI=1/C26H27ClN4O3/c1-3-14-30(26(33)19-12-10-18(2)11-13-19)17-23(32)31-15-5-4-9-22(31)25-28-24(29-34-25)20-7-6-8-21(27)16-20/h3,6-8,10-13,16,22H,1,4-5,9,14-15,17H2,2H3

InChi Info:

AuxInfo=1/0/N:13,1,12,20,19,30,29,31,21,3,7,4,6,11,18,33,14,2,5,28,32,22,15,25,23,8,34,24,26,10,17,16,9,27/E:(10,11)(12,13)/rA:34cCCCCCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s24;d25;s23s26;s25;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇ClN₄O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5716
Area:	711.921
Solvation:	-4.22646
Coulombic:	-49.1769

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	478.97
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.37
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

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Chemical Mix	Source	External ID	Descriptor	Value