SMILES:
COc1cc2nc(N3CCc4c(ncn4Cc4ccccc4)C3)[nH]c(=O)c2cc1OCMolecular Processing
Molecular formula
C23H23N5O3
Molecular weight
417.47
Exact mass
417.1801
XLogP
2.75
TPSA
85.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
117.99
Supplementary Information
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