AC1MD2LT

2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]benzoic acid

Also Known As: CBDivE_009052|F0095-1015|2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID|2-{[({2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl}amino)carbonothioyl]amino}benzoic acid|2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]benzoic acid|2-(3-(2,2,2-trichloro-1-(2-nitrobenzamido)ethyl)thioureido)benzoic acid|o-{3-[2,2,2-trichloro-1-(o-nitrobenzylamino)ethyl]thioureido}benzoic acid|2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid|2-{[(2,2,2-trichloro-1-{[(2-nitrophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoic acid|2-{[thioxo({2,2,2-trichloro-1-[(2-nitrophenyl)carbonylamino]ethyl}amino)methyl ]amino}benzoic acid

Molecular Formula	C17H13Cl3N4O5S
Molecular Weight	489.96722 g/mol
LogP	3.7057
Topological Polar Surface Area	133.6 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	489.96722
Monoisotopic Mass	489.96722
Heavy Atoms	30
Complexity	999.35406

Chemical Identifiers

CAS Number	294657-67-3
SMILES	C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-]