الاسم: ((2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl)(5-methyl-2-(4-methyl-2H-1,2,3-triazol-2-yl)phenyl)methanone
SMILES:
Cc1ccc(-n2ncc(C)n2)c(C(=O)N2CCC[C@@H](C)[C@H]2CN)c1Molecular Processing
Molecular formula
C18H25N5O
Molecular weight
327.43
Exact mass
327.2059
XLogP
2.08
TPSA
77.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93.11
Supplementary Information
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