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Chemical ID: 6482709

c1ccc(cc1)C(=O)Nc2ccccc2C(=O)N3CCC(CC3)c4nc(no4)c5ccncc5

Chemical ID:

6482709

Name [?]:

N-[2-[[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonyl]phenyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)Nc2ccccc2C(=O)N3CCC(CC3)c4nc(no4)c5ccncc5

InChi [?]:

InChI=1/C26H23N5O3/c32-24(19-6-2-1-3-7-19)28-22-9-5-4-8-21(22)26(33)31-16-12-20(13-17-31)25-29-23(30-34-25)18-10-14-27-15-11-18/h1-11,14-15,20H,12-13,16-17H2,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,30,34,20,22,31,33,19,23,29,4,21,15,10,26,7,24,16,32,9,25,27,18,8,17,28/E:(2,3)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:34nCCCCCCCONCCCCCCCONCCCCCCNCNOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃N₅O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1733
Area:	694.521
Solvation:	-4.1897
Coulombic:	-56.2808

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	453.493
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.1
LogP (Chemaxon):	3.87

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