SMILES:
CCCCCCCCOCC(O)COc1ccc(-n2nc3ccccc3n2)c(O)c1Molecular Processing
Molecular formula
C23H31N3O4
Molecular weight
413.52
Exact mass
413.2315
XLogP
4.24
TPSA
89.63
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
116.23
Supplementary Information
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