Chemical ID: 5988058

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)OC)OC
Chemical ID:
5988058
Name [?]:
(3,5-dimethoxyphenyl)-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)OC)OC
InChi [?]:
InChI=1/C23H25N3O4/c1-15-6-4-7-16(10-15)21-24-22(30-25-21)17-8-5-9-26(14-17)23(27)18-11-19(28-2)13-20(12-18)29-3/h4,6-7,10-13,17H,5,8-9,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,30,4,15,3,5,14,16,7,26,22,24,18,2,6,13,21,25,23,8,10,19,9,12,17,20,27,29,11/E:(2,3)(11,12)(19,20)(28,29)/rA:30cCCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s23;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.034
Area:642.807
Solvation:-5.03614
Coulombic:-43.699
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:4.22
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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