O=C(c1cnc(Cl)nc1C(F)(F)F)N1CCS(=O)(=O)CC1
Name: [2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILES: O=C(c1cnc(Cl)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

Molecular Processing

Molecular formula
C10H9ClF3N3O3S
Molecular weight
343.71
Exact mass
343.0005
XLogP
1.02
TPSA
80.23
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.6

Supplementary Information

InChIKey: OQWWOFIMPCMQBX-UHFFFAOYSA-N
Synonyme
4-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}thiomorpholine 1,1-dioxideSCHEMBL5415684-{[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}thiomorpholin-1,1-dioxide
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