SMILES:
COc1ccccc1C(=O)N1CCN(CC2(C)Cc3c(C)c(N)c(C)c(C)c3O2)CC1Molecular Processing
Molecular formula
C25H33N3O3
Molecular weight
423.56
Exact mass
423.2522
XLogP
3.35
TPSA
68.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
123.14
Supplementary Information
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