Name: 5-(6-methyl-3-pyridylmethyl)-2-methylthio-4-pyrimidone
SMILES:
CSc1ncc(Cc2ccc(C)nc2)c(=O)[nH]1Molecular Processing
Molecular formula
C12H13N3OS
Molecular weight
247.32
Exact mass
247.0779
XLogP
1.79
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
68.42
Supplementary Information
Details werden geladen…
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