AC1LX2QQ

methyl 2-[[6-bromo-2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate

Also Known As: AK-968/41024399|methyl 2-({[6-bromo-2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-isopropyl-3-thiophenecarboxylate|methyl 2-[[6-bromo-2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate|methyl 2-({[6-bromo-2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate|methyl 2-(6-bromo-2-(4-ethoxyphenyl)quinoline-4-carboxamido)-5-isopropylthiophene-3-carboxylate|methyl 2-{[6-bromo-2-(4-ethoxyphenyl)(4-quinolyl)]carbonylamino}-5-(methylethy l)thiophene-3-carboxylate

Molecular Formula	C27H25BrN2O4S
Molecular Weight	552.07184 g/mol
LogP	7.2868
Topological Polar Surface Area	77.52 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	552.07184
Monoisotopic Mass	552.07184
Heavy Atoms	35
Complexity	1396.581

Chemical Identifiers

CAS Number	445236-37-3
SMILES	CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C(C)C)C(=O)OC