Name: N-[(4aR,6R,8aS)-8a-(5-Bromo-2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-yl]benzamide
SMILES:
Cc1coc([C@H]2C[C@H]3CSC(NC(=O)c4ccccc4)=N[C@@]3(c3cc(Br)ccc3F)CO2)n1Molecular Processing
Molecular formula
C24H21BrFN3O3S
Molecular weight
530.42
Exact mass
529.0471
XLogP
5.39
TPSA
76.72
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
127.62
Supplementary Information
Details werden geladen…
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