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Chemical ID: 6000163

COCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC)S(=O)(=O)C

Chemical ID:

6000163

Name [?]:

N-(2-methoxyethyl)-N-[[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]methanesulfonamide

SMILES [?]:

COCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC)S(=O)(=O)C

InChi [?]:

InChI=1/C20H28N4O6S/c1-28-12-11-23(31(3,26)27)14-18(25)24-10-5-4-9-17(24)20-21-19(22-30-20)15-7-6-8-16(13-15)29-2/h6-8,13,17H,4-5,9-12,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,27,31,12,11,22,21,23,13,10,4,3,25,6,20,24,14,7,17,15,16,18,5,9,8,29,30,2,26,19,28/E:(26,27)/CRV:31.6/rA:31cCOCCNCCONCCCCCCNCNOCCCCCCOCSOOC/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;s26;s5;d28;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₈N₄O₆S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	7.41974
Area:	652.829
Solvation:	-8.90099
Coulombic:	-45.3879

Bond Count [?]

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

Chemical Properties

Molecular Weight:	452.526
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	1.51
LogP (Chemaxon):	0.56

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