이름: tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)FMolecular Processing
Molecular formula
C15H18F3NO5S
Molecular weight
381.37
Exact mass
381.0858
XLogP
3.6
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
83.95
Supplementary Information
InChIKey: VVUMGGWCJZFOLB-UHFFFAOYSA-N
동의어
6-Trifluoromethanesulfonyloxy-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl esterSCHEMBL5638046
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