Nom: N—[(S)-2-Amino-2-(4-chloro-3-trifluoromethyl-phenyl)-ethyl]-N-isopropyl-4-nitro-benzenesulfonamide
SMILES:
CC(C)N(C[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C18H19ClF3N3O4S
Molecular weight
465.88
Exact mass
465.0737
XLogP
4.37
TPSA
106.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
105.51
Supplementary Information
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