SMILES:
CC(C)CC(OCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O)C(=O)OMolecular Processing
Molecular formula
C31H37NO5S2
Molecular weight
567.77
Exact mass
567.2113
XLogP
5.63
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
157.37
Supplementary Information
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