SMILES:
CC(=O)N[C@H]1[C@H]2[C@H](C(=O)OC(C)(C)C)[C@H]2[C@](NC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@@H]1CSc1ccc(F)c(C)c1Molecular Processing
Molecular formula
C31H45FN2O7S
Molecular weight
608.77
Exact mass
608.2932
XLogP
5.17
TPSA
120.03
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.677
Molar refractivity
157.22
Supplementary Information
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