SMILES:
COC(=O)C1CC(S(=O)(=O)c2ccccc2Cl)CN1c1cc(C)nn1C1CCCCC1Molecular Processing
Molecular formula
C22H28ClN3O4S
Molecular weight
466
Exact mass
465.1489
XLogP
3.94
TPSA
81.5
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
119.28
Supplementary Information
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