Name: (4aR,6R,8aS)-2-(benzoylamino)-8a-(5-bromo-2-fluorophenyl)-N-(1-oxopropan-2-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazine-6-carboxamide
SMILES:
CC(C=O)NC(=O)[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2cc(Br)ccc2F)CO1Molecular Processing
Molecular formula
C24H23BrFN3O4S
Molecular weight
548.43
Exact mass
547.0577
XLogP
3.43
TPSA
96.86
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
131.09
Supplementary Information
Details werden geladen…
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