(R)-Azelastine

The (R)-Azelastine is an organic compound with the formula C₂₂H₂₄ClN₃O. The IUPAC name of this chemical is 4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one. With the CAS registry number 143228-84-6, it is also named as 1(2H)-phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals.

Physical properties about (R)-Azelastine are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.73; (6)ACD/KOC (pH 5.5): 2.33; (7)ACD/KOC (pH 7.4): 30.29; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.91 Å²; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 109.97 cm³; (13)Molar Volume: 304.5 cm³; (14)Polarizability: 43.59×10^-24cm³; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.25 g/cm³; (17)Flash Point: 276.7 °C; (18)Enthalpy of Vaporization: 81 kJ/mol; (19)Boiling Point: 533.9 °C at 760 mmHg; (20)Vapour Pressure: 1.77E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CC\3=N\N(C(=O)c2ccccc2/3)C4CCCN(C)CC4
(2)InChI: InChI=1/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
(3)InChIKey: MBUVEWMHONZEQD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
(5)Std. InChIKey: MBUVEWMHONZEQD-UHFFFAOYSA-N