Name: (S)-2-(5-bromo-2-((dimethylamino)methyl)-7-methylquinolin-6-yl)-2-tert-butoxyethyl pivalate
SMILES:
Cc1cc2nc(CN(C)C)ccc2c(Br)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)CMolecular Processing
Molecular formula
C24H35BrN2O3
Molecular weight
479.46
Exact mass
478.1831
XLogP
5.81
TPSA
51.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
125.56
Supplementary Information
Details werden geladen…
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