SMILES:
CC(C)(CO)C(SCc1nc2ccccn2c1C#Cc1cccc(C(F)(F)F)c1)C(=O)OMolecular Processing
Molecular formula
C23H21F3N2O3S
Molecular weight
462.49
Exact mass
462.1225
XLogP
4.46
TPSA
74.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
116.2
Supplementary Information
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