SMILES:
N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(F)cc3Cl)CC2COc2ccccc2)CC1Molecular Processing
Molecular formula
C23H22ClFN2O4S
Molecular weight
476.96
Exact mass
476.0973
XLogP
3.9
TPSA
96.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
116.26
Supplementary Information
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