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Chemical ID: 5999952

CCCC(=O)N(CCC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl

Chemical ID:

5999952

Name [?]:

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

SMILES [?]:

CCCC(=O)N(CCC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H29ClN4O3/c1-3-7-19(28)26(13-4-2)15-20(29)27-14-6-5-8-18(27)22-24-21(25-30-22)16-9-11-17(23)12-10-16/h9-12,18H,3-8,13-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,9,2,8,16,15,3,17,25,29,26,28,7,14,10,24,27,18,4,11,21,19,30,20,22,6,13,5,12,23/E:(9,10)(11,12)/rA:30cCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉ClN₄O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.8254
Area:	679.041
Solvation:	-4.15066
Coulombic:	-45.61

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	432.944
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.21
LogP (Chemaxon):	3.68

Name Annotations

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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