Chemical ID: 5994958

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4c(cccc4OC)OC
Chemical ID:
5994958
Name [?]:
(2,6-dimethoxyphenyl)-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4c(cccc4OC)OC
InChi [?]:
InChI=1/C23H25N3O4/c1-15-8-6-9-16(14-15)21-24-22(30-25-21)17-10-4-5-13-26(17)23(27)20-18(28-2)11-7-12-19(20)29-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,30,15,16,4,24,3,5,14,25,23,17,7,2,6,13,26,22,21,8,10,19,9,12,18,20,27,29,11/E:(2,3)(11,12)(18,19)(28,29)/rA:30cCCCCCCCCNCONCCCCCNCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s27;s22;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.14614
Area:609.698
Solvation:-6.09632
Coulombic:-44.265
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.462
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.65
LogP (Chemaxon):3.84

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue