CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cc4ccccc4s3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cc4ccccc4s3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

Molecular Processing

Molecular formula
C35H35N3O6S2
Molecular weight
657.81
Exact mass
657.1967
XLogP
7.3
TPSA
106.94
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
178.94

Supplementary Information

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