AC1NB5R7

ethyl 6-acetyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Also Known As: Oprea1_459251|SR-01000569294-1|F0539-1536|ethyl 6-acetyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate|ethyl 6-acetyl-2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate|ethyl 6-acetyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Molecular Formula	C28H29N3O6S2
Molecular Weight	567.1498 g/mol
LogP	3.8287
Topological Polar Surface Area	113.09 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	567.1498
Monoisotopic Mass	567.1498
Heavy Atoms	39
Complexity	1545.6746

Chemical Identifiers

CAS Number	489471-06-9
SMILES	CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4