SMILES:
Cc1nc2ccc(N3CCOCC3)cc2c(-c2ccc(Cl)cc2)c1S(C)(=O)=OMolecular Processing
Molecular formula
C21H21ClN2O3S
Molecular weight
416.93
Exact mass
416.0961
XLogP
4.1
TPSA
59.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
113.07
Supplementary Information
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