AC1LYR3D
5-benzylsulfanyl-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_347605|2-(benzylthio)-7-methyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS: 369604-72-8
| Molecular Formula | C23H21N3OS2 |
|---|---|
| Molecular Weight | 419.1126 g/mol |
| LogP | 4.7274 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1126 |
| Monoisotopic Mass | 419.1126 |
| Heavy Atoms | 29 |
| Complexity | 1215.8407 |
Chemical Identifiers
| CAS Number | 369604-72-8 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AC1LYR3D (CAS 369604-72-8), with molecular formula C23H21N3OS2 and molecular weight 419.1126 g/mol. IUPAC: 5-benzylsulfanyl-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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.
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