名称: [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
SMILES:
CC1CCCN(C1CN)C(=O)C2=C(C=CC(=C2)C)C3=CC=CC=N3Molecular Processing
Molecular formula
C20H25N3O
Molecular weight
323.44
Exact mass
323.1998
XLogP
3.26
TPSA
59.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
96.69
Supplementary Information
InChIKey: MDIDMCZRHMPBON-DNVCBOLYSA-N
同義語
SCHEMBL16277623MDIDMCZRHMPBON-DNVCBOLYSA-N((2S,3R)-2-(Aminomethyl)-3-methylpiperidin-1-yl)(5-methyl-2-(pyridin-2-yl)phenyl)methanone
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