Chemical ID: 7706009

Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)OC(F)(F)F
Chemical ID:
7706009
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)OC(F)(F)F
InChi [?]:
InChI=1/C18H14F3N3O2S2/c1-11-2-4-12(5-3-11)16-23-17(28-24-16)27-10-15(25)22-13-6-8-14(9-7-13)26-18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,19,23,20,22,14,2,5,18,21,15,8,10,25,26,27,28,17,9,12,16,24,13,11/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:28nCCCCCCCCNCSNSCCONCCCCCCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14F3N3O2S2
All Atoms:42
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:12.0983
Area:614.421
Solvation:-3.2622
Coulombic:-63.7562
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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