4H-3,1-Benzoxazin-4-one,6-methyl-2-[(4-methylphenyl)amino]-

The 4H-3,1-Benzoxazin-4-one,6-methyl-2-[(4-methylphenyl)amino]-, with the CAS registry number 86672-58-4, is also known as URB754. It belongs to the product categories of All Inhibitors; Inhibitors; Aromatics; Heterocycles; Research Chemical. This chemical's molecular formula is C₁₆H₁₄N₂O₂ and molecular weight is 266.29. What's more, its systematic name is called 6-Methyl-2-[(4-methylphenyl)amino]-4H-3,1-benzoxazin-4-one. This chemical is a potent, noncompetitive inhibitor of MGL, exhibiting an IC50 of 200 nm for the recombinant rat brain enzyme. It inhibits rat brain fatty acyl amide hydrolase (FAAH) less effectively with an IC50 of 32 μm and binds weakly to the rat CB1 recepto.

Physical properties about 4H-3,1-Benzoxazin-4-one,6-methyl-2-[(4-methylphenyl)amino]- are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 282.54; (6)ACD/BCF (pH 7.4): 287.51; (7)ACD/KOC (pH 5.5): 1967.49; (8)ACD/KOC (pH 7.4): 2002.1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 76.61 cm³; (15)Molar Volume: 216.1 cm³; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.23 g/cm³; (18)Flash Point: 216.3 °C; (19)Enthalpy of Vaporization: 69.01 kJ/mol; (20)Boiling Point: 434 °C at 760 mmHg; (21)Vapour Pressure: 9.8E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2O\C(=N/c1c2cc(cc1)C)Nc3ccc(cc3)C
(2) InChI: InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
(3) InChIKey: GFWNGVKCDGYFKG-UHFFFAOYSA-N