Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(=O)O)c3c2)c1=O
Name: 5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazole-3-carboxylic acid
SMILES: Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(=O)O)c3c2)c1=O

Molecular Processing

Molecular formula
C14H8F3N3O4S
Molecular weight
371.3
Exact mass
371.0188
XLogP
1.86
TPSA
94.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
82.42

Supplementary Information

InChIKey: MKTDMFCWPGIIGU-UHFFFAOYSA-N
Synonyme
SCHEMBL6776830MKTDMFCWPGIIGU-UHFFFAOYSA-N5-[3,6-Dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H )-pyrimidinyl]-1,2-benzisothiazole-3-carboxylic acid5-[3,6-Dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-1,2-benzisothiazole-3-carboxylic acid
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