CN1CCN(c2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2Cl)CC1
SMILES: CN1CCN(c2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2Cl)CC1

Molecular Processing

Molecular formula
C20H23ClN6O
Molecular weight
398.9
Exact mass
398.1622
XLogP
3.95
TPSA
69.46
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
112.89

Supplementary Information

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