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Chemical ID: 6000108

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

Chemical ID:

6000108

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C23H29ClN4O3/c1-4-11-27(20(29)13-16(2)3)15-21(30)28-12-6-5-10-19(28)23-25-22(26-31-23)17-8-7-9-18(24)14-17/h4,7-9,14,16,19H,1,5-6,10-13,15H2,2-3H3

InChi Info:

AuxInfo=1/0/N:10,1,3,9,17,16,27,26,28,18,8,15,4,30,11,2,25,29,19,5,12,22,20,31,21,23,7,14,6,13,24/E:(2,3)/rA:31cCCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s7;s11;d12;s12;s14;s15;s16;s17;s14s18;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉ClN₄O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	13.1472
Area:	689.95
Solvation:	-4.10152
Coulombic:	-47.0862

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	444.954
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.55
LogP (Chemaxon):	3.94

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