SMILES:
CC1=C2[C@@H]3OC(=O)C(O)(CN4CCN(Cc5ccccc5)CC4)C3(O)CC[C@@]2(C)CCC1Molecular Processing
Molecular formula
C26H36N2O4
Molecular weight
440.58
Exact mass
440.2675
XLogP
2.49
TPSA
73.24
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.654
Molar refractivity
121.83
Supplementary Information
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