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Chemical ID: 5994958
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
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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