이름: N—[(S)-2-Amino-2-(2,5-difluoro-4-methoxy-phenyl)-ethyl]-N-ethyl-4-nitro-benzenesulfonamide hydrochloride
SMILES:
CCN(C[C@@H](N)c1cc(F)c(OC)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.ClMolecular Processing
Molecular formula
C17H20ClF2N3O5S
Molecular weight
451.88
Exact mass
451.078
XLogP
3.01
TPSA
115.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
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
0.294
Molar refractivity
104.62
Supplementary Information
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