Name: 2-amino-6-((1-propionylpiperidin-4-yl)methoxy)benzonitrile
SMILES:
CCC(=O)N1CCC(COc2cccc(N)c2C#N)CC1Molecular Processing
Molecular formula
C16H21N3O2
Molecular weight
287.36
Exact mass
287.1634
XLogP
2.17
TPSA
79.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.66
Supplementary Information
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