Name: 1-{2-[5-fluoro-4-(7-{2-fluoro-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-pyridin-4-yl}-benzo[b]thiophen-2-yl)-pyrimidin-2-ylamino]-ethyl}-imidazolidin-2-one
SMILES:
O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCOC4CCCCO4)c3s2)n1Molecular Processing
Molecular formula
C29H30F2N6O4S
Molecular weight
596.66
Exact mass
596.2017
XLogP
5.06
TPSA
110.73
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
154.5
Supplementary Information
Details werden geladen…
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