Name: 4-(2-thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinecarbaldehyde
SMILES:
CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2C=O)cc1)C(F)(F)FMolecular Processing
Molecular formula
C18H19F3N2O4S2
Molecular weight
448.49
Exact mass
448.0738
XLogP
2.6
TPSA
77.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
102.34
Supplementary Information
Details werden geladen…
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