COc1ccc(C(=O)N2c3ccccc3C(N(C(=O)COC(C)=O)c3ccc(Cl)cc3)CC2C)cc1
SMILES: COc1ccc(C(=O)N2c3ccccc3C(N(C(=O)COC(C)=O)c3ccc(Cl)cc3)CC2C)cc1

Molecular Processing

Molecular formula
C28H27ClN2O5
Molecular weight
506.99
Exact mass
506.1608
XLogP
5.43
TPSA
76.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
138.64

Supplementary Information

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