Name: product
SMILES:
CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1Molecular Processing
Molecular formula
C22H27ClN2O5S
Molecular weight
466.99
Exact mass
466.1329
XLogP
3.48
TPSA
87.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
118.89
Supplementary Information
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