1H-Pyrrolizine-5-aceticacid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-

The Licofelone is an organic compound with the formula C₂₃H₂₂ClNO₂. The systematic name of this chemical is [6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid. With the CAS registry number 156897-06-2, it is also named as (2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a dual COX/LOX inhibitor being considered as a treatment for osteoarthritis. Licofelone is both an analgesic and an anti-inflammatory. Inhibition of 5-LOX may reduce the gastrointestinal toxicity associated with other non-steroidal anti-inflammatory drugs, which only inhibit COX (cyclooxygenase).

Physical properties about Licofelone are: (1)ACD/LogP: 6.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.66; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 6567.38; (6)ACD/BCF (pH 7.4): 103.76; (7)ACD/KOC (pH 5.5): 9340.49; (8)ACD/KOC (pH 7.4): 147.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 108.77 cm³; (15)Molar Volume: 306.9 cm³; (16)Polarizability: 43.12×10^-24cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 280.2 °C; (20)Enthalpy of Vaporization: 86.01 kJ/mol; (21)Boiling Point: 539.7 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc4ccc(c1c(n3c(c1c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4
(2)InChI: InChI=1/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
(3)InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
(5)Std. InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N

The toxicity data is as follows: