SMILES:
COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1Molecular Processing
Molecular formula
C28H31N3O4
Molecular weight
473.57
Exact mass
473.2315
XLogP
6.28
TPSA
85.51
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
134.64
Supplementary Information
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