AC1NDAGR

ethyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Also Known As: AK-968/41024430|ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|ethyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|ethyl 4-(3-((4-bromo-2-chlorophenoxy)methyl)-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Molecular Formula	C29H31BrClNO5
Molecular Weight	587.1074 g/mol
LogP	6.8572
Topological Polar Surface Area	73.86 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	587.1074
Monoisotopic Mass	587.1074
Heavy Atoms	37
Complexity	1313.3705

Chemical Identifiers

CAS Number	445236-66-8
SMILES	CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)Br)Cl)C(=O)CC(C2)(C)C)C