CP-724714

The Acetamide, 2-methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]-, with the CAS registry number 537705-08-1, is also known as CP-724714. This chemical's molecular formula is C₂₇H₂₇N₅O₃ and molecular weight is 469.535. What's more, its systematic name is 2-Methoxy-N-{(2E)-3-[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-6-yl]prop-2-en-1-yl}acetamide.

Physical properties about Acetamide, 2-methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 146; (8)ACD/KOC (pH 7.4): 332; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 98.26 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 138.995 cm³; (15)Molar Volume: 375.192 cm³; (16)Polarizability: 55.102×10^-24 cm³; (17)Surface Tension: 56.425 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 369.468 °C; (20)Enthalpy of Vaporization: 100.766 kJ/mol; (21)Boiling Point: 687.304 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC/C=C/c4cc1c(ncnc1Nc3cc(c(Oc2ccc(nc2)C)cc3)C)cc4)COC
(2) InChI: InChI=1/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
(3) InChIKey: LLVZBTWPGQVVLW-SNAWJCMRBB