Name: tert-butyl (S)-1-((R)-2,2,2-trifluoro-1-(3-(6-fluoro-7-(2-hydroxyethoxy)quinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl)pyrrolidin-3-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N[C@H]1CCN([C@H](c2ccc3nnc(-c4ccc5cc(F)c(OCCO)cc5n4)n3c2)C(F)(F)F)C1Molecular Processing
Molecular formula
C28H30F4N6O4
Molecular weight
590.58
Exact mass
590.2265
XLogP
4.66
TPSA
114.11
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
144.41
Supplementary Information
Details werden geladen…
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