Cc1ccc(N2CCN(c3cccc(C4Nc5ccc(C(=O)NS(C)(=O)=O)cc5CC4(C)C)c3)CC2)c(C)c1
SMILES: Cc1ccc(N2CCN(c3cccc(C4Nc5ccc(C(=O)NS(C)(=O)=O)cc5CC4(C)C)c3)CC2)c(C)c1

Molecular Processing

Molecular formula
C31H38N4O3S
Molecular weight
546.74
Exact mass
546.2665
XLogP
5.05
TPSA
81.75
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
159.38

Supplementary Information

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