SMILES:
CC(C)(C)OC(=O)N1CCc2c(sc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)C1Molecular Processing
Molecular formula
C29H26ClFN4O3S
Molecular weight
565.07
Exact mass
564.1398
XLogP
7.58
TPSA
87.48
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
150.15
Supplementary Information
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