SMILES:
O=C1Nc2cc(F)c(CN3C(=O)CSC3=O)cc2C1=Cc1cc(CN2CCOCC2)c[nH]1Molecular Processing
Molecular formula
C22H21FN4O4S
Molecular weight
456.5
Exact mass
456.1268
XLogP
2.67
TPSA
94.74
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
118.19
Supplementary Information
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