Thieno[2,3-b]pyridine-5-carbonitrile,6,7-dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo- (844499-71-4)

The 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, with the CAS registry number 844499-71-4, is also known as A-769662. It belongs to the product category of Signalling. This chemical's molecular formula is C₂₀H₁₂N₂O₃S and formula weight is 360.39. What's more, its systematic name is called 6-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile.

Physical properties of 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 51.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 297.7; (8)ACD/KOC (pH 7.4): 5.11; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.781; (13)Molar Refractivity: 97 cm³; (14)Molar Volume: 230.9 cm³; (15)Surface Tension: 92.7 dyne/cm; (16)Density: 1.56 g/cm³; (17)Flash Point: 290.4 °C; (18)Enthalpy of Vaporization: 88.19 kJ/mol; (19)Boiling Point: 556.6 °C at 760 mmHg; (20)Vapour Pressure: 3.19E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C2=C(/O)Nc1scc(c1C2=O)c4ccc(c3ccccc3O)cc4
(2)InChI: InChI=1/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
(3)InChIKey: CTESJDQKVOEUOY-UHFFFAOYAJ