CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1
名称: 3-[4-(4-Acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-4-chloro-N-methyl-benzenesulfonamide
SMILES: CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1

Molecular Processing

Molecular formula
C20H21ClFN3O4S
Molecular weight
453.92
Exact mass
453.0925
XLogP
2.55
TPSA
86.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
112.22

Supplementary Information

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