SMILES:
O=C1N=C(N2CC(O)CC2C(=O)O)SC1=Cc1ccc2c(cnn2Cc2ccc(Cl)cc2C(F)(F)F)c1Molecular Processing
Molecular formula
C24H18ClF3N4O4S
Molecular weight
550.95
Exact mass
550.0689
XLogP
4.25
TPSA
108.02
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
132.05
Supplementary Information
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