CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)CN1CCC2(CC1)OCCO2)S(=O)(=O)c1cccc2cnccc12
Name: compound
SMILES: CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)CN1CCC2(CC1)OCCO2)S(=O)(=O)c1cccc2cnccc12

Molecular Processing

Molecular formula
C35H36N4O7S2
Molecular weight
688.83
Exact mass
688.2025
XLogP
4.62
TPSA
128.23
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
48
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
180.49

Supplementary Information

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Involved in 5 reactions→

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