名称: 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCc2sccc2C1Molecular Processing
Molecular formula
C12H17NO2S
Molecular weight
239.34
Exact mass
239.098
XLogP
3.04
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
64.67
Supplementary Information
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