Cc1ccc(CNC(=O)C2N3C(=O)C(NC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3SC2(C)C)cc1
SMILES: Cc1ccc(CNC(=O)C2N3C(=O)C(NC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3SC2(C)C)cc1

Molecular Processing

Molecular formula
C35H35N3O2S
Molecular weight
561.75
Exact mass
561.245
XLogP
5.62
TPSA
61.44
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
165.25

Supplementary Information

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