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Chemical ID: 5192853
Chemical ID:
5192853
Name [?]:
(3-chlorophenyl)-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C23H24ClN3O2/c1-15(2)16-8-10-17(11-9-16)21-25-22(29-26-21)19-6-4-12-27(14-19)23(28)18-5-3-7-20(24)13-18/h3,5,7-11,13,15,19H,4,6,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,17,24,16,26,5,9,6,8,18,28,20,2,4,7,23,15,27,10,12,21,29,11,14,19,22,13/E:(1,2)(8,9)(10,11)/rA:29cCCCCCCCCCCNCONCCCCNCCOCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClN3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8579 |
Area: | 649.266 |
Solvation: | -2.37376 |
Coulombic: | -32.4793 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.908 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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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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