Nom: N-[(4aR,6R,8aS)-8a-(5-cyano-2-fluorophenyl)-6-(3-methyl-1,2-oxazol-5-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-yl]benzamide
SMILES:
Cc1cc([C@H]2C[C@H]3CSC(NC(=O)c4ccccc4)=N[C@@]3(c3cc(C#N)ccc3F)CO2)on1Molecular Processing
Molecular formula
C25H21FN4O3S
Molecular weight
476.53
Exact mass
476.1318
XLogP
4.5
TPSA
100.51
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
34
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
0.28
Molar refractivity
124.63
Supplementary Information
Récupération des détails…
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