CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)N2.O=CO
SMILES: CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)N2.O=CO

Molecular Processing

Molecular formula
C35H36Cl2FN3O6
Molecular weight
684.59
Exact mass
683.1965
XLogP
5.83
TPSA
108.41
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
47
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.343
Molar refractivity
177.06

Supplementary Information

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