Name: Racemic N-[3-[2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluoro-phenyl]-5-fluoro-pyridine-2-carboxamide
SMILES:
NC1=NC2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)CN(c3ncc(F)cn3)CC2CS1Molecular Processing
Molecular formula
C22H18F3N7OS
Molecular weight
485.5
Exact mass
485.1246
XLogP
2.93
TPSA
109.39
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
122
Supplementary Information
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