KI8751

The KI8751 is an organic compound with the formula C₂₄H₁₈F₃N₃O₄. The systematic name of this chemical is 1-(2,4-difluorophenyl)-3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-2-fluorophenyl}urea. With the CAS registry number 228559-41-9, it is also named as Urea, N-(2,4-difluorophenyl)-N'-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl]-.

Physical properties about KI8751 are: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.9; (5)ACD/BCF (pH 5.5): 8629.26; (6)ACD/BCF (pH 7.4): 17801.96; (7)ACD/KOC (pH 5.5): 18516.93; (8)ACD/KOC (pH 7.4): 38199.98; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 64.13 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 120.78 cm³; (15)Molar Volume: 328.4 cm³; (16)Polarizability: 47.88×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.429 g/cm³; (19)Flash Point: 254.4 °C; (20)Enthalpy of Vaporization: 76.5 kJ/mol; (21)Boiling Point: 497.1 °C at 760 mmHg; (22)Vapour Pressure: 5.12E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to skin. When you are using it, wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(c(F)c1)NC(=O)Nc4ccc(Oc2c3cc(OC)c(OC)cc3ncc2)cc4F
(2)InChI: InChI=1/C24H18F3N3O4/c1-32-22-11-15-20(12-23(22)33-2)28-8-7-21(15)34-14-4-6-19(17(27)10-14)30-24(31)29-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
(3)InChIKey: LFKQSJNCVRGFCC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C24H18F3N3O4/c1-32-22-11-15-20(12-23(22)33-2)28-8-7-21(15)34-14-4-6-19(17(27)10-14)30-24(31)29-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
(5)Std. InChIKey: LFKQSJNCVRGFCC-UHFFFAOYSA-N