Product Name

7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline Specification

The 7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline, with the CAS registry number 574745-75-8, is also known as Quinazoline, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(phenylmethoxy)-. This chemical's molecular formula is C25H20FN3O3 and molecular weight is 429.44. What's more, its systematic name is 7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline.

Physical properties of 7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline are: (1)ACD/LogP: 4.754; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.75; (4)ACD/LogD (pH 7.4): 4.75; (5)ACD/BCF (pH 5.5): 2416.08; (6)ACD/BCF (pH 7.4): 2416.86; (7)ACD/KOC (pH 5.5): 9187.29; (8)ACD/KOC (pH 7.4): 9190.23; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.26 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 121.66 cm3; (15)Molar Volume: 322.213 cm3; (16)Polarizability: 48.23×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.333 g/cm3; (19)Flash Point: 322.75 °C; (20)Enthalpy of Vaporization: 87.28 kJ/mol; (21)Boiling Point: 610.055 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc4c(Oc3ncnc2c3cc(OC)c(OCc1ccccc1)c2)ccc5c4cc(n5)C
(2)Std. InChI: InChI=1S/C25H20FN3O3/c1-15-10-17-19(29-15)8-9-21(24(17)26)32-25-18-11-22(30-2)23(12-20(18)27-14-28-25)31-13-16-6-4-3-5-7-16/h3-12,14,29H,13H2,1-2H3
(3)Std. InChIKey: FAUIFGUQBUATLA-UHFFFAOYSA-N

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