SMILES:
COc1cc2c(cc1-c1ccccc1OC(C)C)C(c1cccc(C#N)c1)=NCC(=O)N2CMolecular Processing
Molecular formula
C27H25N3O3
Molecular weight
439.52
Exact mass
439.1896
XLogP
4.83
TPSA
74.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
129.27
Supplementary Information
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