Chemical ID: 7724861

Cc1ccc(c(c1)C)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
Chemical ID:
7724861
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C19H17N5OS2/c1-12-5-6-14(13(2)10-12)20-17(25)11-27-18-8-7-16-21-22-19(24(16)23-18)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,3,4,16,15,26,7,12,2,6,5,23,17,10,14,20,9,18,19,22,21,11,27,13/rA:27nCCCCCCCCNCOCSCCCCNNCNNCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;d14s21;s20;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N5OS2
All Atoms:44
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.9274
Area:601.47
Solvation:-3.10935
Coulombic:-32.7031
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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