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Chemical ID: 5997513

CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc(cc4)F

Chemical ID:

5997513

Name [?]:

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

SMILES [?]:

CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C24H24ClFN4O3/c1-2-29(24(32)16-9-11-19(26)12-10-16)15-21(31)30-13-4-3-8-20(30)23-27-22(28-33-23)17-6-5-7-18(25)14-17/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,10,9,20,19,21,11,28,32,29,31,8,23,4,27,18,22,30,12,5,15,13,25,24,33,14,16,3,7,6,26,17/E:(9,10)(11,12)/rA:33cCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s3;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄ClFN₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5805
Area:	660.792
Solvation:	-4.93929
Coulombic:	-50.6642

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	470.924
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.91
LogP (Chemaxon):	4.05

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