Name: compound ( 10 )
SMILES:
CCN1c2ccccc2C(CS(=O)(=O)N2CCC(C(=O)OC)CC2)=CC1(C)CMolecular Processing
Molecular formula
C21H30N2O4S
Molecular weight
406.55
Exact mass
406.1926
XLogP
2.9
TPSA
66.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
111.62
Supplementary Information
Details werden geladen…
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