SMILES:
COc1cc2nc(N3CCCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OCMolecular Processing
Molecular formula
C24H27N5O5
Molecular weight
465.51
Exact mass
465.2012
XLogP
2.11
TPSA
112.27
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
126.82
Supplementary Information
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