SMILES:
CCN(C(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1)S(=O)(=O)CCMolecular Processing
Molecular formula
C20H22ClN3O2S
Molecular weight
403.94
Exact mass
403.1121
XLogP
4.4
TPSA
74.06
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
106.7
Supplementary Information
Details werden geladen…
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