Nombre: ((2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl)(5-methyl-2-(1H-pyrazol-1-yl)phenyl)methanone
SMILES:
Cc1ccc(-n2cccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CN)c1Molecular Processing
Molecular formula
C18H24N4O
Molecular weight
312.42
Exact mass
312.195
XLogP
2.38
TPSA
64.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
90.58
Supplementary Information
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