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Chemical ID: 5988307

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4OC)OC

Chemical ID:

5988307

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4OC)OC

InChi [?]:

InChI=1/C23H25N3O5/c1-28-17-6-4-15(5-7-17)21-24-22(31-25-21)16-10-12-26(13-11-16)23(27)19-9-8-18(29-2)14-20(19)30-3/h4-9,14,16H,10-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,29,5,7,4,8,24,23,15,19,16,18,26,6,14,3,25,22,27,9,11,20,10,13,17,21,2,30,28,12/E:(4,5)(6,7)(10,11)(12,13)/rA:31nCOCCCCCCCNCONCCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.3441
Area:	657.076
Solvation:	-7.08279
Coulombic:	-49.5634

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.462
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.7
LogP (Chemaxon):	2.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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