O=C(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1
SMILES: O=C(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1

Molecular Processing

Molecular formula
C40H39N5O6S2
Molecular weight
749.91
Exact mass
749.2342
XLogP
5.22
TPSA
138.87
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
53
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.225
Molar refractivity
203.34

Supplementary Information

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