CC(=O)N(C)C[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
SMILES: CC(=O)N(C)C[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12

Molecular Processing

Molecular formula
C27H26ClFN4O3
Molecular weight
508.98
Exact mass
508.1677
XLogP
5.99
TPSA
76.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
138.41

Supplementary Information

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