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Chemical ID: 5997607

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

Chemical ID:

5997607

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C26H37ClN4O4/c1-4-6-9-19(5-2)26(33)30(16-17-34-3)18-23(32)31-15-8-7-10-22(31)25-28-24(29-35-25)20-11-13-21(27)14-12-20/h11-14,19,22H,4-10,15-18H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,7,14,2,6,3,21,20,4,22,30,34,31,33,19,11,12,15,5,29,32,23,16,26,24,8,35,25,27,10,18,17,9,13,28/E:(11,12)(13,14)/rA:35cCCCCCCCCONCCOCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;s20;s21;s18s22;s23;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₇ClN₄O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	13.9264
Area:	769.053
Solvation:	-5.29992
Coulombic:	-54.3082

Bond Count [?]

All:	37
Single:	30
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	505.049
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.24
LogP (Chemaxon):	4.45

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