Nombre: compound
SMILES:
COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4cccc(C#N)c4)cc3)cc2C1=OMolecular Processing
Molecular formula
C28H26N4O4
Molecular weight
482.54
Exact mass
482.1954
XLogP
5.02
TPSA
111.53
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
136.19
Supplementary Information
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