Name: (3R,3aR,6R,6aR)-6-((5-(4′-(1H-1,2,4-triazol-1-yl)-[1,1′-biphenyl]-4-yl)-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy)hexahydrofuro[3,2-b]furan-3-ol
SMILES:
O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(-c3ccc(-c4ccc(-n5cncn5)cc4)cc3)c(Cl)cc2[nH]1Molecular Processing
Molecular formula
C26H21ClN6O4
Molecular weight
516.95
Exact mass
516.1313
XLogP
3.43
TPSA
120.2
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
134.59
Supplementary Information
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