Chemical ID: 7703337

c1cc(cnc1)c2nc(cs2)CNS(=O)(=O)c3ccc(cc3)Br
Chemical ID:
7703337
Name [?]:
None
SMILES [?]:
c1cc(cnc1)c2nc(cs2)CNS(=O)(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C15H12BrN3O2S2/c16-12-3-5-14(6-4-12)23(20,21)18-9-13-10-22-15(19-13)11-2-1-7-17-8-11/h1-8,10,18H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,19,21,18,22,6,4,12,10,3,20,9,17,7,23,5,13,8,15,16,11,14/E:(3,4)(5,6)(20,21)/CRV:23.6/rA:23nCCCCNCCNCCSCNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s3;d7;s8;d9;s7s10;s9;s12;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrN3O2S2
All Atoms:35
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.6886
Area:559.794
Solvation:-3.30623
Coulombic:-22.6771
Bond Count [?]
All:25
Single:15
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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