Chemical ID: 5988343

c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
Chemical ID:
5988343
Name [?]:
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C22H16ClF6N3O2/c23-17-5-1-3-12(9-17)18-30-19(34-31-18)13-4-2-6-32(11-13)20(33)14-7-15(21(24,25)26)10-16(8-14)22(27,28)29/h1,3,5,7-10,13H,2,4,6,11H2
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,22,26,4,24,18,3,13,21,23,25,5,8,10,19,31,27,7,32,33,34,28,29,30,9,12,17,20,11/E:(7,8)(15,16)(21,22)(24,25,26,27,28,29)/rA:34cCCCCCCClCNCONCCCCNCCOCCCCCCCFFFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s23;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClF6N3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.2275
Area:668.668
Solvation:-4.48914
Coulombic:-66.5038
Bond Count [?]
All:37
Single:28
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:503.825
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.42
LogP (Chemaxon):5.9

Name Annotations

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Descriptor Annotations

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