이름: compound ( 161 )
SMILES:
CCOC(=O)c1cn2c3c(c(C(C#N)C(=O)OCC)c(F)cc3c1=O)CCN2CMolecular Processing
Molecular formula
C20H20FN3O5
Molecular weight
401.39
Exact mass
401.1387
XLogP
1.61
TPSA
101.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
101.82
Supplementary Information
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