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Chemical ID: 5999997

C=CCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br)C(=O)C4CCCCC4

Chemical ID:

5999997

Name [?]:

N-allyl-N-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]cyclohexanecarboxamide

SMILES [?]:

C=CCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br)C(=O)C4CCCCC4

InChi [?]:

InChI=1/C25H31BrN4O3/c1-2-15-29(25(32)19-8-4-3-5-9-19)17-22(31)30-16-7-6-10-21(30)24-27-23(28-33-24)18-11-13-20(26)14-12-18/h2,11-14,19,21H,1,3-10,15-17H2

InChi Info:

AuxInfo=1/0/N:1,2,31,30,32,11,10,29,33,12,20,24,21,23,3,9,5,19,28,22,13,6,16,14,26,25,15,17,4,8,7,27,18/E:(4,5)(8,9)(11,12)(13,14)/rA:33cCCCNCCONCCCCCCNCNOCCCCCCBrCOCCCCCC/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s4;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁BrN₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4463
Area:	673.456
Solvation:	-4.39014
Coulombic:	-46.7019

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	515.443
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.31
LogP (Chemaxon):	4.73

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