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Chemical ID: 6000135

CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)C(CC)c4ccccc4

Chemical ID:

6000135

Name [?]:

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

SMILES [?]:

CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)C(CC)c4ccccc4

InChi [?]:

InChI=1/C29H35ClN4O3/c1-3-5-17-33(29(36)24(4-2)21-12-7-6-8-13-21)20-26(35)34-18-10-9-16-25(34)28-31-27(32-37-28)22-14-11-15-23(30)19-22/h6-8,11-15,19,24-25H,3-5,9-10,16-18,20H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,2,30,3,35,34,36,12,11,22,33,37,21,23,13,4,10,25,6,32,20,24,29,14,7,17,15,27,26,16,18,5,9,8,28,19/E:(7,8)(12,13)/rA:37cCCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCCC/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;s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₅ClN₄O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	2

ZAP Information [?]

Total:	14.2014
Area:	753.774
Solvation:	-4.64292
Coulombic:	-47.9191

Bond Count [?]

All:	40
Single:	30
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	523.066
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.27
LogP (Chemaxon):	5.85

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

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Chemical Mix	Source	External ID	Descriptor	Value