SMILES:
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1Molecular Processing
Molecular formula
C33H33FN2O4
Molecular weight
540.64
Exact mass
540.2424
XLogP
6.79
TPSA
80.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
153.48
Supplementary Information
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