AC1N6GDI structure

AC1N6GDI

dimethyl 4-(4-bromophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2,7-dicarboxylate

Also Known As: dimethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate|3,7-DIMETHYL 1-(4-BROMOPHENYL)-8-METHYL-9-PHENYL-4,6-DITHIA-1,2,9-TRIAZASPIRO[4.4]NONA-2,7-DIENE-3,7-DICARBOXYLATE|dimethyl 6-(4-bromophenyl)-2-methyl-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate

CAS: 670263-36-2
Molecular Formula C21H18BrN3O4S2
Molecular Weight 518.9922 g/mol
LogP 4.758
Topological Polar Surface Area 71.44 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
Rotatable Bonds 4
Exact Mass 518.9922
Monoisotopic Mass 518.9922
Heavy Atoms 31
Complexity 1091.5635

Chemical Identifiers

CAS Number 670263-36-2
SMILES CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)OC

Product Overview

AC1N6GDI (CAS 670263-36-2), with molecular formula C21H18BrN3O4S2 and molecular weight 518.9922 g/mol. IUPAC: dimethyl 4-(4-bromophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2,7-dicarboxylate.

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