이름: 6-(3,4-dimethoxyphenyl)-2-isopropoxy-3-methyl-4(3H)-pyrimidinone
SMILES:
COc1ccc(-c2cc(=O)n(C)c(OC(C)C)n2)cc1OCMolecular Processing
Molecular formula
C16H20N2O4
Molecular weight
304.35
Exact mass
304.1423
XLogP
2.25
TPSA
62.58
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
83.78
Supplementary Information
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