名称: 7-Hydroxy-3-methyl-4-phenyl-isothiazolo[4,5-c]pyridine-6-carboxylic acid butyl ester
SMILES:
CCCCOC(=O)c1nc(-c2ccccc2)c2c(C)nsc2c1OMolecular Processing
Molecular formula
C18H18N2O3S
Molecular weight
342.42
Exact mass
342.1038
XLogP
4.33
TPSA
72.31
H-bond donors
1
H-bond acceptors
6
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
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
94.44
Supplementary Information
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