SMILES:
CCOC(=O)C1=C(N2CCN(CCO)CC2)OC(=Cc2c[nH]c3ncccc23)C1=OMolecular Processing
Molecular formula
C21H24N4O5
Molecular weight
412.45
Exact mass
412.1747
XLogP
0.89
TPSA
107.99
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.92
Supplementary Information
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