SMILES:
CC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)N1Molecular Processing
Molecular formula
C18H25N3O3
Molecular weight
331.42
Exact mass
331.1896
XLogP
2.59
TPSA
61.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
90.54
Supplementary Information
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