SMILES:
CCc1cn(C2CC(O)C(CNC(=O)C(C)Sc3ccc(Cl)cc3Cl)O2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C20H23Cl2N3O5S
Molecular weight
488.39
Exact mass
487.0735
XLogP
2.35
TPSA
113.42
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
120.03
Supplementary Information
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