AC1NSMBX
4-[3-chloro-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
Also Known As: A4132/0176201|4-[3-chloro-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione|4-{3-chloro-4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]phenyl}-1,2-dimethyl-1,2,4-triazolidine-3,5-dione|4-{3-CHLORO-4-[(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)SULFONYL]PHENYL}-1,2-DIMETHYL-1,2,4-TRIAZOLIDINE-3,5-DIONE|4-{4-[(6,7-dimethoxy(2-1,2,3,4-tetrahydroisoquinolyl))sulfonyl]-3-chlorophenyl }-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
| Molecular Formula | C21H23ClN4O6S |
|---|---|
| Molecular Weight | 494.1027 g/mol |
| LogP | 1.2923 |
| Topological Polar Surface Area | 104.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1027 |
| Monoisotopic Mass | 494.1027 |
| Heavy Atoms | 33 |
| Complexity | 1437.5812 |
Chemical Identifiers
| CAS Number | 893772-63-9 |
|---|---|
| SMILES | CN1C(=O)N(C(=O)N1C)C2=CC(=C(C=C2)S(=O)(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)Cl |
Product Overview
AC1NSMBX (CAS 893772-63-9), with molecular formula C21H23ClN4O6S and molecular weight 494.1027 g/mol. IUPAC: 4-[3-chloro-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione.
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