SMILES:
CCC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)OMolecular Processing
Molecular formula
C23H21N3O5
Molecular weight
419.44
Exact mass
419.1481
XLogP
3.84
TPSA
132.54
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
113.01
Supplementary Information
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