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Chemical ID: 5989528

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cc(cc(c4)OC)OC

Chemical ID:

5989528

Name [?]:

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide

SMILES [?]:

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cc(cc(c4)OC)OC

InChi [?]:

InChI=1/C23H26N4O5/c1-29-18-8-4-6-15(10-18)21-25-22(32-26-21)16-7-5-9-27(14-16)23(28)24-17-11-19(30-2)13-20(12-17)31-3/h4,6,8,10-13,16H,5,7,9,14H2,1-3H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,30,32,5,16,6,15,4,17,8,28,24,26,19,7,14,23,3,27,25,9,11,20,22,10,13,18,21,2,29,31,12/E:(2,3)(11,12)(19,20)(30,31)/rA:32cCOCCCCCCCNCONCCCCNCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4339
Area:	681.637
Solvation:	-6.60704
Coulombic:	-62.3296

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	438.477
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.19
LogP (Chemaxon):	3.27

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