SMILES:
CCCCc1nn(C2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Molecular Processing
Molecular formula
C23H25N7O
Molecular weight
415.5
Exact mass
415.2121
XLogP
3.62
TPSA
94.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
5
Aromatic rings
4
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
117.52
Supplementary Information
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