Name: 2-Mercapto-1-methyl-2′-phenyl-1H-[4,4′]bipyrimidinyl-6-one
SMILES:
Cn1c(S)nc(-c2ccnc(-c3ccccc3)n2)cc1=OMolecular Processing
Molecular formula
C15H12N4OS
Molecular weight
296.36
Exact mass
296.0732
XLogP
2.19
TPSA
60.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
83.19
Supplementary Information
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