Chemical ID: 7724867

c1cc(cc(c1)Cl)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
Chemical ID:
7724867
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C17H12ClN5OS2/c18-11-3-1-4-12(9-11)19-15(24)10-26-16-7-6-14-20-21-17(23(14)22-16)13-5-2-8-25-13/h1-9H,10H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,24,6,2,23,15,14,25,4,11,5,3,22,16,9,13,19,7,8,17,18,21,20,10,26,12/rA:26nCCCCCCClNCOCSCCCCNNCNNCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;d18;s16s19;d13s20;s19;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClN5OS2
All Atoms:38
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.89
Area:595.902
Solvation:-3.00751
Coulombic:-33.1422
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.97
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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