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
| 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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