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Chemical ID: 6000141

CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4cccc(c4)F

Chemical ID:

6000141

Name [?]:

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

SMILES [?]:

CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4cccc(c4)F

InChi [?]:

InChI=1/C26H28ClFN4O3/c1-2-3-13-31(26(34)19-9-7-11-21(28)16-19)17-23(33)32-14-5-4-12-22(32)25-29-24(30-35-25)18-8-6-10-20(27)15-18/h6-11,15-16,22H,2-5,12-14,17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,12,11,22,31,21,30,23,32,13,4,10,25,34,6,20,29,24,33,14,7,17,15,27,26,35,16,18,5,9,8,28,19/rA:35cCCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s5;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈ClFN₄O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.8973
Area:	714.169
Solvation:	-4.95695
Coulombic:	-51.2731

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	498.977
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.83
LogP (Chemaxon):	4.92

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