Chemical ID: 7724868

c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)Nc4ccc(cc4)Cl
Chemical ID:
7724868
Name [?]:
None
SMILES [?]:
c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C17H12ClN5OS2/c18-11-3-5-12(6-4-11)19-15(24)10-26-16-8-7-14-20-21-17(23(14)22-16)13-2-1-9-25-13/h1-9H,10H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,24,21,25,14,13,5,16,23,20,3,9,17,12,6,26,19,8,7,11,10,18,4,15/E:(3,4)(5,6)/rA:26nCCCSCCNNCNNCCCSCCONCCCCCCCl/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClN5OS2
All Atoms:38
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.8451
Area:596.59
Solvation:-3.06967
Coulombic:-33.0608
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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