Name: N—[(S)-2-Amino-2-(2,4,5-trifluoro-phenyl)-ethyl]-N-ethyl-4-nitro-benzenesulfonamide hydrochloride
SMILES:
CCN(C[C@@H](N)c1cc(F)c(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.ClMolecular Processing
Molecular formula
C16H17ClF3N3O4S
Molecular weight
439.84
Exact mass
439.058
XLogP
3.14
TPSA
106.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
98.02
Supplementary Information
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