AC1MD2LB

2-nitro-N-[2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]benzamide

Also Known As: CBDivE_009860|2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide|2-nitro-N-[2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]benzamide|F0095-1016|2-nitro-N-(2,2,2-trichloro-1-(3-(3-hydroxyphenyl)thioureido)ethyl)benzamide|2-nitro-N-[2,2,2-trichloro-1-({[(3-hydroxyphenyl)amino]carbonothioyl}amino)ethyl]benzamide|(2-nitrophenyl)-N-[2,2,2-trichloro-1-({[(3-hydroxyphenyl)amino]thioxomethyl}am ino)ethyl]carboxamide

Molecular Formula	C16H13Cl3N4O4S
Molecular Weight	461.97232 g/mol
LogP	3.7131
Topological Polar Surface Area	116.53 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	461.97232
Monoisotopic Mass	461.97232
Heavy Atoms	28
Complexity	907.45325

Chemical Identifiers

CAS Number	294657-66-2
SMILES	C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)O)[N+](=O)[O-]