SMILES:
CCOc1cccc2c1C(Nc1ccc3cc(NC(=O)NC4CCN(C(C)C)CC4)ccc3n1)CO2Molecular Processing
Molecular formula
C28H35N5O3
Molecular weight
489.62
Exact mass
489.274
XLogP
5.17
TPSA
87.75
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
143.1
Supplementary Information
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