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Chemical ID: 5988799

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4OC)OC

Chemical ID:

5988799

Name [?]:

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

SMILES [?]:

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4OC)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,31,29,5,16,6,15,4,24,23,17,8,26,19,7,14,3,25,22,27,9,11,20,10,13,18,21,2,30,28,12/rA:31cCOCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;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:	1

ZAP Information [?]

Total:	9.64004
Area:	658.167
Solvation:	-6.81415
Coulombic:	-49.9893

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):	2.86

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