Cc1cc(C)cc(-c2[nH]c3ccc(-n4nnnc4C)cc3c2CCN(CCCCc2ccc(N)c(S(C)(=O)=O)c2S(C)(=O)=O)C(=O)OC(C)(C)C)c1
SMILES: Cc1cc(C)cc(-c2[nH]c3ccc(-n4nnnc4C)cc3c2CCN(CCCCc2ccc(N)c(S(C)(=O)=O)c2S(C)(=O)=O)C(=O)OC(C)(C)C)c1

Molecular Processing

Molecular formula
C37H47N7O6S2
Molecular weight
749.96
Exact mass
749.3029
XLogP
5.93
TPSA
183.23
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
52
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.405
Molar refractivity
202.18

Supplementary Information

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