SMILES:
N#CC(NC=NOC(CCOCc1ccccc1)COCc1ccccc1)C(N)=OMolecular Processing
Molecular formula
C22H26N4O4
Molecular weight
410.47
Exact mass
410.1954
XLogP
2.11
TPSA
118.96
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
111.91
Supplementary Information
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