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Chemical ID: 5988269
Chemical ID:
5988269
Name [?]:
(3,5-dimethoxyphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4cc(cc(c4)OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-17-9-7-15(8-10-17)21-24-22(31-25-21)20-6-4-5-11-26(20)23(27)16-12-18(29-2)14-19(13-16)30-3/h7-10,12-14,20H,4-6,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,31,16,17,15,5,7,4,8,18,27,23,25,6,22,3,26,24,14,9,11,20,10,13,19,21,2,28,30,12/E:(2,3)(7,8)(9,10)(12,13)(18,19)(29,30)/rA:31cCOCCCCCCCNCONCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.13561 |
Area: | 636.72 |
Solvation: | -6.78238 |
Coulombic: | -50.1041 |
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: | 4.13 |
LogP (Chemaxon): | 3.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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