COc1cn(C(CC2(C)COC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N
SMILES: COc1cn(C(CC2(C)COC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N

Molecular Processing

Molecular formula
C27H24ClN3O6
Molecular weight
521.96
Exact mass
521.1354
XLogP
4.35
TPSA
130.65
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
137.03

Supplementary Information

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