이름: 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-4-methoxybutanoic acid
SMILES:
COCCC(C(=O)O)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=OMolecular Processing
Molecular formula
C18H17ClN2O5
Molecular weight
376.8
Exact mass
376.0826
XLogP
2.71
TPSA
101.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
95.58
Supplementary Information
No supplementary data available
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