Name: N-[(4aR,6R,8aS)-8a-(5-cyano-2-fluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-yl]benzamide
SMILES:
Cn1cc([C@H]2C[C@H]3CSC(NC(=O)c4ccccc4)=N[C@@]3(c3cc(C#N)ccc3F)CO2)cn1Molecular Processing
Molecular formula
C25H22FN5O2S
Molecular weight
475.55
Exact mass
475.1478
XLogP
3.94
TPSA
92.3
H-bond donors
1
H-bond acceptors
6
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
126.6
Supplementary Information
Details werden geladen…
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