SMILES:
COc1ccc(C23Cn4cc(NC5CCCCC5)cc4C(=O)N2CCN3C(=O)c2conc2C)cc1Molecular Processing
Molecular formula
C27H31N5O4
Molecular weight
489.58
Exact mass
489.2376
XLogP
4
TPSA
92.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
132.91
Supplementary Information
Récupération des détails…
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