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Chemical ID: 5988058
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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