SMILES:
COCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1Molecular Processing
Molecular formula
C23H25N5O5
Molecular weight
451.48
Exact mass
451.1856
XLogP
2.87
TPSA
107.93
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
120.64
Supplementary Information
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