Nom: N-((4aS,5S,7aS)-7a-(2,4-Difluorophenyl)-5-((trityloxy)methyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)benzamide
SMILES:
O=C(NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2CS1)c1ccccc1Molecular Processing
Molecular formula
C39H32F2N2O3S
Molecular weight
646.76
Exact mass
646.2102
XLogP
7.72
TPSA
59.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
47
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
180.23
Supplementary Information
Récupération des détails…
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