SMILES:
CCOC(=O)CC(=O)N1CCc2nc(CC)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2C1C(=O)OCCMolecular Processing
Molecular formula
C30H33N7O5
Molecular weight
571.64
Exact mass
571.2543
XLogP
3.28
TPSA
145.19
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
151.8
Supplementary Information
Récupération des détails…
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