Nombre: title compound
SMILES:
CCCC(NC(=O)CC#N)c1ccc(OCCN2CCCC2)cc1Molecular Processing
Molecular formula
C19H27N3O2
Molecular weight
329.44
Exact mass
329.2103
XLogP
3.03
TPSA
65.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
93.63
Supplementary Information
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