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Chemical ID: 5193046
Chemical ID:
5193046
Name [?]:
(3,4-dimethoxyphenyl)-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1OC)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C24H27N3O6/c1-29-18-9-7-15(12-20(18)31-3)22-25-23(33-26-22)17-6-5-11-27(14-17)24(28)16-8-10-19(30-2)21(13-16)32-4/h7-10,12-13,17H,5-6,11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,10,31,18,17,5,25,4,26,19,7,29,21,6,24,16,3,27,8,28,11,13,22,12,15,20,23,2,32,9,30,14/rA:33cCOCCCCCCOCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d11s14;s13;s16;s17;s18;s19;s16s20;s20;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.00875 |
Area: | 693.467 |
Solvation: | -9.32794 |
Coulombic: | -56.1038 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 453.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.61 |
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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