Oprea1_050273
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
Also Known As: Oprea1_050273|F1166-0018|4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)benzamide|N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide|4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C25H25N3O4S2 |
|---|---|
| Molecular Weight | 495.12866 g/mol |
| LogP | 4.2975 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.12866 |
| Monoisotopic Mass | 495.12866 |
| Heavy Atoms | 34 |
| Complexity | 1391.7688 |
Chemical Identifiers
| CAS Number | 684231-69-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C |
Product Overview
Oprea1_050273 (CAS 684231-69-4), with molecular formula C25H25N3O4S2 and molecular weight 495.12866 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide.
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