Name: (R)-5-Bromo-6-(3-hydroxypyrrolidin-1-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamide
SMILES:
O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(Br)c1Molecular Processing
Molecular formula
C17H15BrF3N3O2S
Molecular weight
462.29
Exact mass
461.002
XLogP
4.28
TPSA
65.46
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
101.08
Supplementary Information
Details werden geladen…
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