AC1LZKHR
5-[(4-bromophenyl)methylsulfanyl]-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 2-((4-bromobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one|2-[(4-bromobenzyl)sulfanyl]-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
CAS: 842964-49-2
| Molecular Formula | C25H22BrN3O2S |
|---|---|
| Molecular Weight | 507.0616 g/mol |
| LogP | 5.6868 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.0616 |
| Monoisotopic Mass | 507.0616 |
| Heavy Atoms | 32 |
| Complexity | 1351.9808 |
Chemical Identifiers
| CAS Number | 842964-49-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)C5=CC=CC=C5)C |
Product Overview
AC1LZKHR (CAS 842964-49-2), with molecular formula C25H22BrN3O2S and molecular weight 507.0616 g/mol. IUPAC: 5-[(4-bromophenyl)methylsulfanyl]-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-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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