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Chemical ID: 5192865
Chemical ID:
5192865
Name [?]:
(3,4-dimethoxyphenyl)-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C25H29N3O4/c1-16(2)17-7-9-18(10-8-17)23-26-24(32-27-23)20-6-5-13-28(15-20)25(29)19-11-12-21(30-3)22(14-19)31-4/h7-12,14,16,20H,5-6,13,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,32,30,17,16,5,9,6,8,24,25,18,28,20,2,4,7,23,15,26,27,10,12,21,11,14,19,22,31,29,13/E:(1,2)(7,8)(9,10)/rA:32cCCCCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;s15;s16;s17;s18;s15s19;s19;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4538 |
Area: | 688.966 |
Solvation: | -5.77038 |
Coulombic: | -44.5725 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 435.516 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.31 |
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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