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(3R,3aR,6R,6aR)-6-[(5-{[1,1'-biphenyl]-4-yl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)oxy]-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6R,6aR)-6-[(5-{[1,1'-biphenyl]-4-yl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)oxy]-hexahydrofuro[3,2-b]furan-3-ol

CAS: 1394371-71-1

Formula: C24H20ClN3O4

SMILES: [H][C@]12OC[C@@H](OC3=NC4=CC(Cl)=C(N=C4N3)C3=CC=C(C=C3)C3=CC=CC=C3)[C@@]1([H])OC[C@H]2O

IUPAC: (3R,3aR,6R,6aR)-6-[(5-{[1,1'-biphenyl]-4-yl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)oxy]-hexahydrofuro[3,2-b]furan-3-ol

InChI: InChI=1S/C24H20ClN3O4/c25-16-10-17-23(28-24(26-17)32-19-12-31-21-18(29)11-30-22(19)21)27-20(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,18-19,21-22,29H,11-12H2,(H,26,27,28)/t18-,19-,21-,22-/m1/s1

Composition: C (64.07%), H (4.48%), Cl (7.88%), N (9.34%), O (14.22%)

Molar Mass: 449.89

Atom Count: 52

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 4
Exact Mass 449.1142338
Formal Charge 0
FSP3 0.25
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey XQMNBTZLYOOAGA-UGESXGAOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.53
Topological Polar Surface Area 89.49
Polarizability 49.14
Ring Count 6
Rotatable Bond Count 4

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