SMILES:
CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCCO4)cc3n2C2CC2)cc1)C1CC1Molecular Processing
Molecular formula
C28H29N3O4
Molecular weight
471.56
Exact mass
471.2158
XLogP
6.38
TPSA
85.51
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
132.25
Supplementary Information
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