AC1LWSSG

propan-2-yl 5-(dimethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate

Also Known As: Oprea1_816743|AK-968/40708724|isopropyl 2-({3,5-bisnitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate|propan-2-yl 5-(dimethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate|ISOPROPYL 5-(DIMETHYLCARBAMOYL)-2-(3,5-DINITROBENZAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE|methylethyl 5-(N,N-dimethylcarbamoyl)-2-[(3,5-dinitrophenyl)carbonylamino]-4-m ethylthiophene-3-carboxylate|propan-2-yl 5-(dimethylcarbamoyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate

Molecular Formula	C19H20N4O8S
Molecular Weight	464.1002 g/mol
LogP	3.39222
Topological Polar Surface Area	161.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	464.1002
Monoisotopic Mass	464.1002
Heavy Atoms	32
Complexity	1090.5212

Chemical Identifiers

CAS Number	445007-16-9
SMILES	CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C