SMILES:
COc1cc(C(=O)N2CCN(C(=O)C=C(C=Cc3ccccc3)c3ccccc3)CC2)cc(OC)c1OCMolecular Processing
Molecular formula
C31H32N2O5
Molecular weight
512.61
Exact mass
512.2311
XLogP
4.79
TPSA
68.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
148.48
Supplementary Information
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