이름: 2,4-Difluoro-N-methyl-3-[4-(4-trifluoromethyl-phenyl)-piperazine-1-carbonyl]-benzenesulfonamide
SMILES:
CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1FMolecular Processing
Molecular formula
C19H18F5N3O3S
Molecular weight
463.43
Exact mass
463.0989
XLogP
2.85
TPSA
69.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
102.16
Supplementary Information
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