COC(=O)C(C)(Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3
SMILES: COC(=O)C(C)(Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

Molecular Processing

Molecular formula
C48H45Cl2N3O8
Molecular weight
862.81
Exact mass
861.2584
XLogP
9.58
TPSA
136.42
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
61
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
230.67

Supplementary Information

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