Oprea1_826862
N-benzo[g][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: Oprea1_826862|F1166-0029|4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(naphtho[2,1-d]thiazol-2-yl)benzamide|N-{naphtho[2,1-d][1,3]thiazol-2-yl}-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide|N-benzo[g][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide|p-{N-3-thia-5-azatricyclo[7.4.0.0(2),]trideca-1(13),2(6),4,7,9,11-hexaen-4-ylcarbamoyl}phenyl(oxo)-1,2,3,4-tetrahydro-2-isoquinolyl-lambda-sulfaniumolate
| Molecular Formula | C27H21N3O3S2 |
|---|---|
| Molecular Weight | 499.10245 g/mol |
| LogP | 5.4488 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.10245 |
| Monoisotopic Mass | 499.10245 |
| Heavy Atoms | 35 |
| Complexity | 1692.5201 |
Chemical Identifiers
| CAS Number | 684231-80-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C6=CC=CC=C6C=C5 |
Product Overview
Oprea1_826862 (CAS 684231-80-9), with molecular formula C27H21N3O3S2 and molecular weight 499.10245 g/mol. IUPAC: N-benzo[g][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
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