AC1NO2JY

6-ethyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Also Known As: Oprea1_680781|F0539-0405|6-ethyl-2-(4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide|6-ethyl-2-[4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide|6-ethyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide|6-ethyl-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Molecular Formula	C27H36N4O4S2
Molecular Weight	544.2178 g/mol
LogP	4.0666
Topological Polar Surface Area	112.81 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	544.2178
Monoisotopic Mass	544.2178
Heavy Atoms	37
Complexity	1349.1257

Chemical Identifiers

CAS Number	449767-87-7
SMILES	CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC5(CC4CC(C5)(C)C)C