Cc1cccc2nc(SCc3ccc(C(=O)c4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)n(C)c(=O)c12
SMILES: Cc1cccc2nc(SCc3ccc(C(=O)c4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)n(C)c(=O)c12

Molecular Processing

Molecular formula
C30H30N4O3S
Molecular weight
526.66
Exact mass
526.2039
XLogP
4.15
TPSA
75.51
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
151

Supplementary Information

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