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Chemical ID: 5995007

COc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4c(cccc4OC)OC

Chemical ID:

5995007

Name [?]:

(2,6-dimethoxyphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone

SMILES [?]:

COc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4c(cccc4OC)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,29,31,5,25,6,4,26,24,15,19,16,18,8,14,7,3,27,23,22,9,11,20,10,13,17,21,2,28,30,12/E:(2,3)(8,9)(10,11)(12,13)(18,19)(29,30)/rA:31nCOCCCCCCCNCONCCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s23;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.08696
Area:	649.509
Solvation:	-7.15075
Coulombic:	-50.0988

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