SMILES:
CN1C(=O)c2c(Nc3ccccc3)nn(CC3CCOCC3)c2N2C1=NC1CCCC12Molecular Processing
Molecular formula
C23H28N6O2
Molecular weight
420.52
Exact mass
420.2274
XLogP
3.24
TPSA
74.99
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
6
Aromatic rings
2
Saturated rings
2
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
118.93
Supplementary Information
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