Name: intermediate 22a
SMILES:
CCC1(C(=O)OC(C)(C)C)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21Molecular Processing
Molecular formula
C22H27N3O5
Molecular weight
413.47
Exact mass
413.1951
XLogP
3.39
TPSA
99.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
111.18
Supplementary Information
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