SMILES:
CNC(=O)Nc1ccc(-c2ncc3c(n2)N2CCOCC2(C)C(=O)N3C(C)C)cc1Molecular Processing
Molecular formula
C21H26N6O3
Molecular weight
410.48
Exact mass
410.2066
XLogP
2.25
TPSA
99.69
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
114.74
Supplementary Information
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