TCMDC-125611

2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]carbamate

Also Known As: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2,2,2-trichloro-1-(((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)ethyl)carbamate|2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl {2,2,2-trichloro-1-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]ethyl}carbamate|2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]carbamate

Molecular Formula	C18H20Cl3N5O6
Molecular Weight	507.0479 g/mol
LogP	2.95182
Topological Polar Surface Area	129.78 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	507.0479
Monoisotopic Mass	507.0479
Heavy Atoms	32
Complexity	966.82227

Chemical Identifiers

CAS Number	317841-77-3
SMILES	CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]