Chemical ID: 5997106

c1cc(cc(c1)Cl)c2nc(on2)C3CCCN3C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F
Chemical ID:
5997106
Name [?]:
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-5-yl]-pyrrolidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN3C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C21H15ClF6N4O2/c22-14-4-1-3-11(7-14)17-30-18(34-31-17)16-5-2-6-32(16)19(33)29-15-9-12(20(23,24)25)8-13(10-15)21(26,27)28/h1,3-4,7-10,16H,2,5-6H2,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,4,24,22,26,3,23,25,5,21,13,8,10,18,31,27,7,32,33,34,28,29,30,20,9,12,17,19,11/E:(9,10)(12,13)(20,21)(23,24,25,26,27,28)/rA:34cCCCCCCClCNCONCCCCNCONCCCCCCCFFFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s23;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClF6N4O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.3415
Area:671.171
Solvation:-4.43779
Coulombic:-79.6189
Bond Count [?]
All:37
Single:28
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:504.813
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.99
LogP (Chemaxon):6.17

Name Annotations

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Descriptor Annotations

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