SMILES:
Cc1cc(CCC(=O)OC(C)(C)C)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1Molecular Processing
Molecular formula
C26H29N3O4
Molecular weight
447.54
Exact mass
447.2158
XLogP
5.65
TPSA
98.24
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
124.55
Supplementary Information
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