Oprea1_420279
diethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: Oprea1_420279|SR-01000569368-1|F0539-1833|3,6-diethyl 2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate|diethyl 2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate|diethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C29H31N3O7S2 |
|---|---|
| Molecular Weight | 597.16034 g/mol |
| LogP | 4.4387 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 597.16034 |
| Monoisotopic Mass | 597.16034 |
| Heavy Atoms | 41 |
| Complexity | 1582.0691 |
Chemical Identifiers
| CAS Number | 449781-83-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
Oprea1_420279 (CAS 449781-83-3), with molecular formula C29H31N3O7S2 and molecular weight 597.16034 g/mol. IUPAC: diethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.