Agn-PC-0KB6WL
5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AGN-PC-0KB6WL|2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS: 5271-92-1
| Molecular Formula | C18H18ClN3OS2 |
|---|---|
| Molecular Weight | 391.05798 g/mol |
| LogP | 3.9286 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.05798 |
| Monoisotopic Mass | 391.05798 |
| Heavy Atoms | 25 |
| Complexity | 994.2092 |
Chemical Identifiers
| CAS Number | 5271-92-1 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C |
Product Overview
Agn-PC-0KB6WL (CAS 5271-92-1), with molecular formula C18H18ClN3OS2 and molecular weight 391.05798 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-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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