Name: Compound 6.3
SMILES:
CC1(C)OC2C(CO)OC(n3nnc4c(NC(=O)c5ccccc5)ncnc43)C2O1Molecular Processing
Molecular formula
C19H20N6O5
Molecular weight
412.41
Exact mass
412.1495
XLogP
0.88
TPSA
133.51
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
102.33
Supplementary Information
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