SMILES:
CNC(=O)Nc1ccc(-c2ncc3c(n2)N2CCOCC2(C)C(=O)N3C(C)(C)C(=O)O)cc1Molecular Processing
Molecular formula
C22H26N6O5
Molecular weight
454.49
Exact mass
454.1965
XLogP
1.7
TPSA
136.99
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
121.32
Supplementary Information
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