CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cccc4ccccc34)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cccc4ccccc34)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

Molecular Processing

Molecular formula
C37H37N3O6S
Molecular weight
651.78
Exact mass
651.2403
XLogP
7.24
TPSA
106.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
47
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.297
Molar refractivity
181.07

Supplementary Information

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