4-Thiazoleacetic acid,2-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-,ethyl ester, (aZ)- (86299-46-9)

The Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate, with the CAS registry number 86299-46-9, has the IUPAC name of tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-ethoxy-2-oxoethylidene]amino]oxy-2-methylpropanoate. Being a kind of light beige granular crystalline powder, it is insoluble and its product categories are including Pharmaceutical Intermediates; Cephalosporins.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.04; (6)ACD/BCF (pH 7.4): 118.12; (7)ACD/KOC (pH 5.5): 1058.5; (8)ACD/KOC (pH 7.4): 1059.2; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 118.56; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 90.78 cm³; (15)Molar Volume: 285.8 cm³; (16)Polarizability: 35.99×10^-24 cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 233.7 °C; (20)Enthalpy of Vaporization: 72.39 kJ/mol; (21)Boiling Point: 462.8 °C at 760 mmHg; (22)Vapour Pressure: 9.56E-09 mmHg at 25°C; (23)Exact Mass: 357.135842; (24)MonoIsotopic Mass: 357.135842; (25)Topological Polar Surface Area: 141; (26)Heavy Atom Count: 24; (27)Complexity: 502.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)C1=CSC(=N1)N
(2)InChI: InChI=1S/C15H23N3O5S/c1-7-21-11(19)10(9-8-24-13(16)17-9)18-23-15(5,6)12(20)22-14(2,3)4/h8H,7H2,1-6H3,(H2,16,17)
(3)InChIKey: GVGJDTAQZPCVCX-UHFFFAOYSA-N