이름: 3-[3-(5-fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-ylmethoxy]-isothiazole-5-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc(OCc2c(-c3ccc(F)cn3)noc2C)ns1Molecular Processing
Molecular formula
C15H12FN3O4S
Molecular weight
349.34
Exact mass
349.0533
XLogP
3.01
TPSA
87.34
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
82.21
Supplementary Information
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