Chemical ID: 7724883

c1ccc(c(c1)C(F)(F)F)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
Chemical ID:
7724883
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C18H12F3N5OS2/c19-18(20,21)11-4-1-2-5-12(11)22-15(27)10-29-16-8-7-14-23-24-17(26(14)25-16)13-6-3-9-28-13/h1-9H,10H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,2,27,6,3,26,18,17,28,14,5,4,25,19,12,16,22,7,8,9,10,11,20,21,24,23,13,29,15/E:(19,20,21)/rA:29nCCCCCCCFFFNCOCSCCCCNNCNNCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;s20;d21;s19s22;d16s23;s22;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12F3N5OS2
All Atoms:41
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:11.4704
Area:595.491
Solvation:-3.41691
Coulombic:-51.6999
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.28
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue