CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12
SMILES: CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12

Molecular Processing

Molecular formula
C38H35N5O6S2
Molecular weight
721.86
Exact mass
721.2029
XLogP
5.13
TPSA
130.08
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
51
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
0.184
Molar refractivity
195.42

Supplementary Information

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