1H-Imidazole-4,5-dicarboxylicacid, 2-propyl-, 4,5-diethyl ester (144689-94-1)

The Diethyl 2-propylImidazoledicarbonate, with the CAS registry number 144689-94-1, has the systematic name of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate. Besides, its product categories are including Pharmaceutical material and intermeidates; Organic acids. As to its usage, it is usually applied as the intermediate of antihypertensive (agent) Olmesartan.
 
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 104 ; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 81.28; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 65.772 cm³; (15)Molar Volume: 219.103 cm³; (16)Polarizability: 26.074 ×10^-24 cm³; (17)Surface Tension: 44.745 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 196.248 °C; (20)Enthalpy of Vaporization: 65.181 kJ/mol; (21)Boiling Point: 400.884 °C at 760 mmHg.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(OCC)c1nc(nc1C(=O)OCC)CCC
(2)InChI:InChI=1/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
(3)InChIKey:ZQPMIDPIXSMOAD-UHFFFAOYAF