Monoisotopic mass
383.005158054
InChI
InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)
InChI Key
InChIKey=AWSQADBSXFTFKL-UHFFFAOYSA-N
IUPAC Name
6-bromo-13$l^{6}-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1^{3,7}]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-13,13-dione
Traditional IUPAC Name
6-bromo-13$l^{6}-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1^{3,7}]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-13,13-dione
SMILES
BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3
pKa (strongest acidic)
10.18
pKa (Strongest Basic)
5.09
Refractivity
89.24 m3·mol-1