SMILES:
O=C(NC(CCOc1ccccc1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1Molecular Processing
Molecular formula
C31H30N2O4S2
Molecular weight
558.73
Exact mass
558.1647
XLogP
5.74
TPSA
75.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
155.9
Supplementary Information
Récupération des détails…
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