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The 2-(4-Isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-ol, with the cas registry number 923289-21-8, has other names as 4-quinolinol, 7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-.
The physical properties of this chemical are as follows: (1)ACD/LogP: 5.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 4.88; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 83.48 ; (9)Index of Refraction: 1.635; (10)Molar Refractivity: 90.82 cm3; (11)Molar Volume: 253.5 cm3; (12)Polarizability: 36×10-24 cm3; (13)Surface Tension: 51.8 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 267.1 °C; (16)Enthalpy of Vaporization: 82.03 kJ/mol; (17)Boiling Point: 518 °C at 760 mmHg; (18)Vapour Pressure: 2.37E-11 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Cc1c(ccc2c1nc(cc2O)c3nc(cs3)C(C)C)OC
(2)InChI:InChI=1/C17H18N2O2S/c1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12/h5-9H,1-4H3,(H,18,20)
(3)InChIKey:LPPRPUJPNUYIKH-UHFFFAOYAQ
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