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Chemical ID: 5988307
Chemical ID:
5988307
Name [?]:
(2,4-dimethoxyphenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-17-6-4-15(5-7-17)21-24-22(31-25-21)16-10-12-26(13-11-16)23(27)19-9-8-18(29-2)14-20(19)30-3/h4-9,14,16H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,5,7,4,8,24,23,15,19,16,18,26,6,14,3,25,22,27,9,11,20,10,13,17,21,2,30,28,12/E:(4,5)(6,7)(10,11)(12,13)/rA:31nCOCCCCCCCNCONCCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3441 |
Area: | 657.076 |
Solvation: | -7.08279 |
Coulombic: | -49.5634 |
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
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Experimental Annotations
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Descriptor Annotations
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