SMILES:
CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)c1cccc(O)n1Molecular Processing
Molecular formula
C21H23N7O2
Molecular weight
405.46
Exact mass
405.1913
XLogP
2.43
TPSA
131.84
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
114.09
Supplementary Information
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