CN1CCOc2cc(S(=O)(=O)Oc3ccc(-c4cc5cc(CN6CCCCC6)ccc5n4C(=O)OC(C)(C)C)c4c3CNC4=O)ccc21
SMILES: CN1CCOc2cc(S(=O)(=O)Oc3ccc(-c4cc5cc(CN6CCCCC6)ccc5n4C(=O)OC(C)(C)C)c4c3CNC4=O)ccc21

Molecular Processing

Molecular formula
C36H40N4O7S
Molecular weight
672.8
Exact mass
672.2618
XLogP
5.92
TPSA
119.41
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
48
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
182.32

Supplementary Information

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