SMILES:
C=CCOc1c(N)cc([C@@H]2SC[C@@H](c3cc(OC)c(OC)c(OC)c3)S2)cc1OCMolecular Processing
Molecular formula
C22H27NO5S2
Molecular weight
449.59
Exact mass
449.1331
XLogP
5.09
TPSA
72.17
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
124.73
Supplementary Information
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