AC1OB4EA
2-(5-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
Also Known As: (4E)-2-(5-chloro-2-methylphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione|(E)-2-(5-chloro-2-methylphenyl)-4-(((1,1-dioxidotetrahydrothiophen-3-yl)amino)methylene)isoquinoline-1,3(2H,4H)-dione|2-(5-chloro-2-methyl-phenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione|2-(5-chloro-2-methylphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
| Molecular Formula | C21H19ClN2O4S |
|---|---|
| Molecular Weight | 430.0754 g/mol |
| LogP | 3.26412 |
| Topological Polar Surface Area | 88.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.0754 |
| Monoisotopic Mass | 430.0754 |
| Heavy Atoms | 29 |
| Complexity | 1312.241 |
Chemical Identifiers
| CAS Number | 899396-85-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=C(C3=CC=CC=C3C2=O)C=NC4CCS(=O)(=O)C4)O |
Product Overview
AC1OB4EA (CAS 899396-85-1), with molecular formula C21H19ClN2O4S and molecular weight 430.0754 g/mol. IUPAC: 2-(5-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one.
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