SMILES:
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CNCCC(=O)OMolecular Processing
Molecular formula
C25H31ClFN3O4
Molecular weight
491.99
Exact mass
491.1987
XLogP
3.54
TPSA
82.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
128.35
Supplementary Information
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