AC1M4IB4

methyl 2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: Oprea1_402679|SR-01000430621-1|methyl 2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|METHYL 2-[2-(3-METHYLPHENYL)QUINOLINE-4-AMIDO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|Methyl 2-[2-(3-methylphenyl)quinoline-4-carboxamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-{[2-(3-methylphenyl)-4-quinolyl]carbonylamino}-4,5,6,7,8-pentahydrocy clohepta[2,1-b]thiophene-3-carboxylate

Molecular Formula	C28H26N2O3S
Molecular Weight	470.1664 g/mol
LogP	6.57952
Topological Polar Surface Area	68.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	470.1664
Monoisotopic Mass	470.1664
Heavy Atoms	34
Complexity	1406.301

Chemical Identifiers

CAS Number	5696-53-7
SMILES	CC1=CC(=CC=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC