SMILES:
COc1cc2nc(N3CCN(C(=O)C(c4ccccc4)C4CCCC4)CC3)nc(N)c2cc1OCMolecular Processing
Molecular formula
C27H33N5O3
Molecular weight
475.59
Exact mass
475.2583
XLogP
3.85
TPSA
93.81
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
136.99
Supplementary Information
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