SMILES:
COc1cc(OC)c(-c2cccs2)cc1C=CC(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Molecular Processing
Molecular formula
C27H30N2O6S2
Molecular weight
542.68
Exact mass
542.1545
XLogP
3.94
TPSA
94.17
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
145.11
Supplementary Information
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