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Chemical ID: 5193025

COc1ccc(c(c1)OC)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(c(c4)OC)OC

Chemical ID:

5193025

Name [?]:

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

SMILES [?]:

COc1ccc(c(c1)OC)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(c(c4)OC)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,33,10,31,15,16,25,4,5,26,14,29,8,18,24,17,3,6,27,7,28,21,19,11,20,22,13,12,2,32,9,30,23/rA:33cCOCCCCCCOCCONCCCCCCNCNOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;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:	8.37697
Area:	689.774
Solvation:	-8.86737
Coulombic:	-55.9658

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:	3.34
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