SMILES:
COc1ccccc1OC1CCN(c2nc(-c3ccccc3)nc3ccccc23)C1Molecular Processing
Molecular formula
C25H23N3O2
Molecular weight
397.48
Exact mass
397.179
XLogP
4.96
TPSA
47.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
119.21
Supplementary Information
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