이름: 2-[(2-bromoacetyl)oxy]ethyl 4-({[(4-chloro-2-methylphenyl)amino]carbonyl}amino)-1-[4-(trifluoromethyl)benzyl]-1H-imidazole-2-carboxylate
SMILES:
Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)OCCOC(=O)CBr)n1Molecular Processing
Molecular formula
C24H21BrClF3N4O5
Molecular weight
617.81
Exact mass
616.0336
XLogP
5.65
TPSA
111.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
136.64
Supplementary Information
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