Name: 3-(4-chloro-5-ethylsulfonylamino-2-fluorophenyl)-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
SMILES:
CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C13H10ClF4N3O4S
Molecular weight
415.75
Exact mass
415.0017
XLogP
2.1
TPSA
101.03
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
85.71
Supplementary Information
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