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Chemical ID: 5997622

CCCCCCC(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl

Chemical ID:

5997622

Name [?]:

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

SMILES [?]:

CCCCCCC(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C25H35ClN4O4/c1-3-4-5-6-10-22(31)29(16-17-33-2)18-23(32)30-15-8-7-9-21(30)25-27-24(28-34-25)19-11-13-20(26)14-12-19/h11-14,21H,3-10,15-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,13,2,3,4,5,20,19,21,6,29,33,30,32,18,10,11,14,28,31,22,7,15,25,23,34,24,26,9,17,8,16,12,27/E:(11,12)(13,14)/rA:34cCCCCCCCONCCOCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9;s14;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s24;d25;s23s26;s25;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₅ClN₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.7854
Area:	774.561
Solvation:	-5.57864
Coulombic:	-53.5119

Bond Count [?]

All:	36
Single:	29
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	491.023
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.94
LogP (Chemaxon):	3.89

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