Product Name

1-(1-Methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone Specification

The 1-(1-Methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone, with the CAS number 478963-79-0, is also called 2(1H)-Quinazolinone, 1-(1-methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-. The systematic name is 1-(propan-2-yl)-4-[4-(propan-2-yl)phenyl]-6-(prop-2-yn-1-yloxy)quinazolin-2(1H)-one. Its molecular formula is C23H24N2O2.

The properties of the chemical are: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 862; (6)ACD/BCF (pH 7.4): 862; (7)ACD/KOC (pH 5.5): 4393; (8)ACD/KOC (pH 7.4): 4393; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 109.224 cm3; (15)Molar Volume: 332.096 cm3; (16)Polarizability: 43.3×10-24cm3; (17)Surface Tension: 37.014 dyne/cm; (18)Enthalpy of Vaporization: 78.079 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\c1c(ccc(OCC#C)c1)N2C(C)C)c3ccc(cc3)C(C)C
(2)InChI: InChI=1/C23H24N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16H,13H2,2-5H3
(3)InChIKey: RXVZJHDMMKTKDR-UHFFFAOYAR

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