AC1LWRSW

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

Also Known As: Oprea1_121336|AK-968/40642457|methyl 2-({2,4-bisnitrobenzoyl}amino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate|methyl 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylate|METHYL 4-(2,4-DIMETHYLPHENYL)-2-(2,4-DINITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE|methyl 4-(2,4-dimethylphenyl)-2-[(2,4-dinitrophenyl)carbonylamino]thiophene-3- carboxylate|methyl 4-(2,4-dimethylphenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Molecular Formula	C21H17N3O7S
Molecular Weight	455.07874 g/mol
LogP	4.88724
Topological Polar Surface Area	141.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	455.07874
Monoisotopic Mass	455.07874
Heavy Atoms	32
Complexity	1266.2744

Chemical Identifiers

CAS Number	445000-94-2
SMILES	CC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C