SMILES:
C=CC1CC1(NC(=O)C1CC(Oc2nc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)O)C(=O)OCCMolecular Processing
Molecular formula
C30H31N3O7
Molecular weight
545.59
Exact mass
545.2162
XLogP
3.79
TPSA
136.94
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
145.6
Supplementary Information
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