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

Molecular Processing

Molecular formula
C42H61ClN2O6SSi
Molecular weight
785.56
Exact mass
784.3708
XLogP
9.16
TPSA
86.33
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
53
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
218.77

Supplementary Information

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