Tipranavir

The Tipranavir, with the CAS registry number 174484-41-4, is also known as 3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-. It belongs to the product categories of Antiviral Agents; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₃₁H₃₃F₃N₂O₅S and formula weight is 602.66. What's more, both its IUPAC name and systematic name are the same which is called N-[3-[(1R)-1-[(2R)-6-Hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide. This chemical which can be used as nonpeptidic HIV protease inhibitor is white solid. At last, its classification codes are Anti-HIV Agents; Anti-Infective Agents; Anti-Retroviral Agents; Antiviral; Antiviral Agents.

Physical properties about this chemical are: (1)ACD/LogP: 6.92; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2875; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 4833; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 113.97 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 152.418 cm³; (15)Molar Volume: 458.959 cm³; (16)Surface Tension: 50.476 dyne/cm; (17)Density: 1.313 g/cm³; (18)Flash Point: 384.576 °C; (19)Melting Point: 86-89 °C; (20)Enthalpy of Vaporization: 109.337 kJ/mol; (21)Boiling Point: 712.284 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@]1(CC(/O)=C(\C(=O)O1)[C@H](CC)c3cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c3)CCc4ccccc4
(2)InChI: InChI=1/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
(3)InChIKey: SUJUHGSWHZTSEU-FYBSXPHGBO