Name: 5-Dimethylaminomethylene-4-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid tert-butyl ester
SMILES:
CN(C)C=C1CCc2sc(C(=O)OC(C)(C)C)cc2C1=OMolecular Processing
Molecular formula
C16H21NO3S
Molecular weight
307.42
Exact mass
307.1242
XLogP
3.28
TPSA
46.61
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
83.91
Supplementary Information
Details werden geladen…
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