5-[4-(Acetylamino)phenyl]-1H-imidazole-2-acetic acid ethyl ester (908007-24-9)

The 5-[4-(Acetylamino)phenyl]-1H-imidazole-2-acetic acid ethyl ester with the CAS number 908007-24-9 is also called ethyl 2-[5-(4-acetamidophenyl)-1H-imidazol-2-yl]acetate. Its molecular formula is C₁₅H₁₇N₃O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-[4-(Acetylamino)phenyl]-1H-imidazole-2-acetic acid ethyl ester are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.025; (4)ACD/LogD (pH 7.4): 1.006; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.327; (7)ACD/KOC (pH 5.5): 8.318; (8)ACD/KOC (pH 7.4): 79.538; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 78.231 cm³; (15)Molar Volume: 228.66 cm³; (16)Polarizability: 31.013×10^-24cm³; (17)Surface Tension: 53.71 dyne/cm; (18)Enthalpy of Vaporization: 89.43 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)Cc1[nH]c(cn1)c2ccc(cc2)NC(=O)C
(2)InChI: InChI=1/C15H17N3O3/c1-3-21-15(20)8-14-16-9-13(18-14)11-4-6-12(7-5-11)17-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H,17,19)
(3)InChIKey: SJSFBJSABDTCEY-UHFFFAOYAM