Nombre: (S)-2-amino-6-((1-(3-methylbutanoyl)piperidin-3-yl)methoxy)benzonitrile
SMILES:
CC(C)CC(=O)N1CCC[C@H](COc2cccc(N)c2C#N)C1Molecular Processing
Molecular formula
C18H25N3O2
Molecular weight
315.42
Exact mass
315.1947
XLogP
2.8
TPSA
79.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
89.82
Supplementary Information
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