COCCCN1CCOc2ccc(C(OC3CNC(CO[Si](C(C)C)(C(C)C)C(C)C)CC3c3ccc(COCC(C)COC)cc3)S(=O)(=O)c3ccc(C)cc3)cc21
SMILES: COCCCN1CCOc2ccc(C(OC3CNC(CO[Si](C(C)C)(C(C)C)C(C)C)CC3c3ccc(COCC(C)COC)cc3)S(=O)(=O)c3ccc(C)cc3)cc21

Molecular Processing

Molecular formula
C47H72N2O8SSi
Molecular weight
853.25
Exact mass
852.4779
XLogP
9.22
TPSA
104.79
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
22
Heavy atoms
59
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.617
Molar refractivity
239.91

Supplementary Information

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