SMILES:
CC12C=CC(=O)C=C1C(F)CC1C3CC4CN(Cc5ccccc5)CC4(C(=O)SC4CCOC4=O)C3(C)CC(O)C12FMolecular Processing
Molecular formula
C33H37F2NO5S
Molecular weight
597.72
Exact mass
597.2361
XLogP
4.61
TPSA
83.91
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
42
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
10
Undefined stereo
10
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.606
Molar refractivity
153.62
Supplementary Information
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