이름: 1-[N-(5-Acetyl-2-methoxy-6-methylpyridin-3-yl)-N-methylaminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
SMILES:
COc1cc(OC)cc(N2CCN(C(=O)N(C)c3cc(C(C)=O)c(C)nc3OC)CC2)c1Molecular Processing
Molecular formula
C23H30N4O5
Molecular weight
442.52
Exact mass
442.2216
XLogP
3
TPSA
84.44
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
122.66
Supplementary Information
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