AC1L726O
(5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone
Also Known As: (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone|5,7-Dibenzoyl-1-benzyl-2-(propan-2-yl)-6lambda~6~-thiepino[4,5-d]imidazole-6,6(1H)-dione
CAS: 52196-70-0
| Molecular Formula | C31H26N2O4S |
|---|---|
| Molecular Weight | 522.1613 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1613 |
| Monoisotopic Mass | 522.1613 |
| Heavy Atoms | 38 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 52196-70-0 |
|---|---|
| SMILES | CC(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(S(=O)(=O)C(=C2)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5 |
| InChIKey | NRTIETLCUXXXTR-UHFFFAOYSA-N |
Product Overview
AC1L726O (CAS 52196-70-0), with molecular formula C31H26N2O4S and molecular weight 522.1613 g/mol. IUPAC: (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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