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Chemical ID: 6000067

C=CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)Cc4ccccc4

Chemical ID:

6000067

Name [?]:

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

SMILES [?]:

C=CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)Cc4ccccc4

InChi [?]:

InChI=1/C26H27ClN4O3/c1-2-14-30(23(32)16-19-9-4-3-5-10-19)18-24(33)31-15-7-6-13-22(31)26-28-25(29-34-26)20-11-8-12-21(27)17-20/h2-5,8-12,17,22H,1,6-7,13-16,18H2

InChi Info:

AuxInfo=1/0/N:1,2,32,31,33,11,10,21,30,34,20,22,12,3,9,28,24,5,29,19,23,13,26,6,16,14,25,15,17,4,8,27,7,18/E:(4,5)(9,10)/rA:34cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇ClN₄O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.9523
Area:	720.212
Solvation:	-5.05301
Coulombic:	-47.4619

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	478.97
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.75
LogP (Chemaxon):	4.43

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