SMILES:
CCCn1c(=O)c2nc(C3(O)CC4C=CC(C3)O4)[nH]c2n(CCC)c1=OMolecular Processing
Molecular formula
C18H24N4O4
Molecular weight
360.41
Exact mass
360.1798
XLogP
1.01
TPSA
102.14
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
96.13
Supplementary Information
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