名称: 3-[4-(4-Acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-4-chloro-N,N-dimethyl-benzenesulfonamide
SMILES:
CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c(F)c1Molecular Processing
Molecular formula
C21H23ClFN3O4S
Molecular weight
467.95
Exact mass
467.1082
XLogP
2.89
TPSA
78
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
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
0.333
Molar refractivity
116.85
Supplementary Information
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