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Chemical ID: 5988472
Chemical ID:
5988472
Name [?]:
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-fluorophenyl)-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C20H17ClFN3O2/c21-15-8-4-13(5-9-15)18-23-19(27-24-18)17-3-1-2-12-25(17)20(26)14-6-10-16(22)11-7-14/h4-11,17H,1-3,12H2
InChi Info:
AuxInfo=1/0/N:14,15,13,1,5,21,25,2,4,22,24,16,6,20,3,23,12,7,9,18,27,26,8,11,17,19,10/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCCCCCCNCONCCCCCNCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClFN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4355 |
Area: | 568.372 |
Solvation: | -3.77384 |
Coulombic: | -34.7864 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.819 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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