AC1OB3QP
2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
Also Known As: (4E)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione|(E)-2-(2-chloro-5-(trifluoromethyl)phenyl)-4-(((1,1-dioxidotetrahydrothiophen-3-yl)amino)methylene)isoquinoline-1,3(2H,4H)-dione|2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
| Molecular Formula | C21H16ClF3N2O4S |
|---|---|
| Molecular Weight | 484.04715 g/mol |
| LogP | 3.9745 |
| Topological Polar Surface Area | 88.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.04715 |
| Monoisotopic Mass | 484.04715 |
| Heavy Atoms | 32 |
| Complexity | 1415.0376 |
Chemical Identifiers
| CAS Number | 892634-75-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)C(F)(F)F)Cl)O |
Product Overview
AC1OB3QP (CAS 892634-75-2), with molecular formula C21H16ClF3N2O4S and molecular weight 484.04715 g/mol. IUPAC: 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one.
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