COc1ccc(C2(C)C(=O)Nc3cc(N4CCN(C)CC4)cc(Cl)c3C2=O)cc1
SMILES: COc1ccc(C2(C)C(=O)Nc3cc(N4CCN(C)CC4)cc(Cl)c3C2=O)cc1

Molecular Processing

Molecular formula
C22H24ClN3O3
Molecular weight
413.91
Exact mass
413.1506
XLogP
3.19
TPSA
61.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
114.47

Supplementary Information

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