AC1LWSYV

methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate

Also Known As: Oprea1_544190|AK-968/40709112|methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate|methyl 2-({3,5-bisnitro-4-methylbenzoyl}amino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate|methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrophenyl)carbonylamin o]thiophene-3-carboxylate|methyl 4-(4-fluorophenyl)-5-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Molecular Formula	C21H16FN3O7S
Molecular Weight	473.0693 g/mol
LogP	5.02634
Topological Polar Surface Area	141.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	473.0693
Monoisotopic Mass	473.0693
Heavy Atoms	33
Complexity	1266.9274

Chemical Identifiers

CAS Number	445008-05-9
SMILES	CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)OC)[N+](=O)[O-]