Name: N—[(S)-2-Amino-2-(4-isopropyl-phenyl)-ethyl]-N-methyl-4-nitro-benzenesulfonamide hydrochloride
SMILES:
CC(C)c1ccc([C@H](N)CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.ClMolecular Processing
Molecular formula
C18H24ClN3O4S
Molecular weight
413.93
Exact mass
413.1176
XLogP
3.46
TPSA
106.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
107.62
Supplementary Information
Details werden geladen…
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