SMILES:
COc1cccc2c1[C@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2.ClMolecular Processing
Molecular formula
C22H26ClFN2O2
Molecular weight
404.91
Exact mass
404.1667
XLogP
3.65
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
109.97
Supplementary Information
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