이름: 1-(2,4-dimethoxybenzyl)-4-(3-fluorophenyl)-6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
SMILES:
COc1ccc(Cn2c(=O)c(C#N)c(-c3cccc(F)c3)c3cc(OC)ccc32)c(OC)c1Molecular Processing
Molecular formula
C26H21FN2O4
Molecular weight
444.46
Exact mass
444.1485
XLogP
4.75
TPSA
73.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
123.52
Supplementary Information
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