SMILES:
COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OCMolecular Processing
Molecular formula
C17H20N4O3
Molecular weight
328.37
Exact mass
328.1535
XLogP
1.57
TPSA
105.51
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.27
Supplementary Information
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