Name: tert-butyl 3-(4-cyano-3-fluoro-5-(4-phenoxyphenyl)pyridin-2-yl)benzylcarbamate
SMILES:
CC(C)(C)OC(=O)NCc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C#N)c2F)c1Molecular Processing
Molecular formula
C30H26FN3O3
Molecular weight
495.55
Exact mass
495.1958
XLogP
7.24
TPSA
84.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
139.37
Supplementary Information
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