SMILES:
N#Cc1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c1Molecular Processing
Molecular formula
C20H16ClN3O4S2
Molecular weight
461.95
Exact mass
461.0271
XLogP
3.21
TPSA
110.5
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
113.8
Supplementary Information
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