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Chemical ID: 5193025
Chemical ID:
5193025
Name [?]:
(2,4-dimethoxyphenyl)-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C24H27N3O6/c1-29-17-8-9-18(20(13-17)31-3)24(28)27-11-5-6-16(14-27)23-25-22(26-33-23)15-7-10-19(30-2)21(12-15)32-4/h7-10,12-13,16H,5-6,11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,10,31,15,16,25,4,5,26,14,29,8,18,24,17,3,6,27,7,28,21,19,11,20,22,13,12,2,32,9,30,23/rA:33cCOCCCCCCOCCONCCCCCCNCNOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;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: | 8.37697 |
Area: | 689.774 |
Solvation: | -8.86737 |
Coulombic: | -55.9658 |
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: | 3.34 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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