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Chemical ID: 5988671
Chemical ID:
5988671
Name [?]:
(2,4-dichlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4Cl)Cl)F
InChi [?]:
InChI=1/C20H16Cl2FN3O2/c21-14-5-8-16(17(22)10-14)20(27)26-9-1-2-13(11-26)19-24-18(25-28-19)12-3-6-15(23)7-4-12/h3-8,10,13H,1-2,9,11H2
InChi Info:
AuxInfo=1/0/N:14,13,1,5,22,2,4,21,15,24,17,6,12,23,3,20,25,7,9,18,27,26,28,8,11,16,19,10/E:(3,4)(6,7)/rA:28cCCCCCCCNCONCCCCNCCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16Cl2FN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7885 |
Area: | 615.76 |
Solvation: | -3.6055 |
Coulombic: | -34.1792 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 420.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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