Chemical ID: 7668601

CCn1cc(c(n1)C)C2=Nn3c(nnc3SC2)C(F)(F)F
Chemical ID:
7668601
Name [?]:
None
SMILES [?]:
CCn1cc(c(n1)C)C2=Nn3c(nnc3SC2)C(F)(F)F
InChi [?]:
InChI=1/C11H11F3N6S/c1-3-19-4-7(6(2)17-19)8-5-21-10-16-15-9(11(12,13)14)20(10)18-8/h4H,3,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,4,17,6,5,9,12,15,18,19,20,21,13,14,7,10,3,11,16/E:(12,13,14)/rA:21nCCNCCCNCCNNCNNCSCCFFF/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;s10;s11;d12;s13;s11d14;s15;s9s16;s12;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11F3N6S
All Atoms:32
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:8.38528
Area:451.291
Solvation:-2.897
Coulombic:-33.8983
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.07
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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