الاسم: tert-butyl 4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(tetrahydrofuran-3-yl)propanoyl}amino)benzoate
SMILES:
COc1cn(C(CC2CCOC2)C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)cc1-c1cc(Cl)ccc1C#NMolecular Processing
Molecular formula
C31H32ClN3O6
Molecular weight
578.07
Exact mass
577.198
XLogP
5.61
TPSA
119.65
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
155.24
Supplementary Information
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