Nom: 7-(2-fluoro-4-methylsulfanyl-phenylamino)-benzo[d]isothiazole-6-carboxylic acid ((R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide
SMILES:
CSc1ccc(Nc2c(C(=O)NOC[C@H]3COC(C)(C)O3)ccc3cnsc23)c(F)c1Molecular Processing
Molecular formula
C21H22FN3O4S2
Molecular weight
463.56
Exact mass
463.1036
XLogP
4.71
TPSA
81.71
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
119.41
Supplementary Information
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