Название: 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(3-ethyloxetan-3-yl)propanoic acid
SMILES:
CCC1(CC(C(=O)O)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)COC1Molecular Processing
Molecular formula
C21H21ClN2O5
Molecular weight
416.86
Exact mass
416.1139
XLogP
3.49
TPSA
101.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
107.25
Supplementary Information
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