CC(=O)N[C@@H](Cc1cc(F)cc(Cl)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)CN1C(=O)OC(C)(C)C
SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(Cl)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)CN1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C25H38ClFN2O6
Molecular weight
517.04
Exact mass
516.2402
XLogP
3.91
TPSA
97.33
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
130.6

Supplementary Information

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