SMILES:
CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccc(C#N)cc3)n2)c(CC2CC2)n1Molecular Processing
Molecular formula
C23H25N7O
Molecular weight
415.5
Exact mass
415.2121
XLogP
3.68
TPSA
119.64
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
118.71
Supplementary Information
Details werden geladen…
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