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Chemical ID: 5193046

COc1ccc(cc1OC)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC

Chemical ID:

5193046

Name [?]:

(3,4-dimethoxyphenyl)-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone

SMILES [?]:

COc1ccc(cc1OC)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C24H27N3O6/c1-29-18-9-7-15(12-20(18)31-3)22-25-23(33-26-22)17-6-5-11-27(14-17)24(28)16-8-10-19(30-2)21(13-16)32-4/h7-10,12-13,17H,5-6,11,14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,33,10,31,18,17,5,25,4,26,19,7,29,21,6,24,16,3,27,8,28,11,13,22,12,15,20,23,2,32,9,30,14/rA:33cCOCCCCCCOCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d11s14;s13;s16;s17;s18;s19;s16s20;s20;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇N₃O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	8.00875
Area:	693.467
Solvation:	-9.32794
Coulombic:	-56.1038

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	453.488
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.08
LogP (Chemaxon):	2.61

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