The Cefetamet pivaloyloxymethyl ester , with cas registry number of 65243-33-6, is a kind of anti-bacterial agents and anti-infective agents. It is the metabolite of cefetamet . Cefetamet pivaloyloxymethyl ester is also called Cefetamet pivoxyl . Its IUPAC name is called 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate . And its systematic name is named as [(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate .
Physical properties of Cefetamet pivaloyloxymethyl ester are: (1) ACD/LogP: 2.44 ; (2) # of Rule of 5 Violations: 2 ; (3) ACD/LogD (pH 5.5): 2.44 ; (4) ACD/LogD (pH 7.4): 2.37 ; (5) ACD/BCF (pH 5.5): 41.87 ; (6) ACD/BCF (pH 7.4): 35.94 ; (7) ACD/KOC (pH 5.5): 503.57 ; (8) ACD/KOC (pH 7.4): 432.25 ; (9) #H bond acceptors: 12 ; (10) #H bond donors: 3 ; (11) #Freely Rotating Bonds: 10 ; (12) Index of Refraction: 1.684 ; (13) Molar Refractivity: 124.9 cm3 ; (14) Molar Volume: 328.9 cm3 ; (15) Surface Tension: 60.9 dyne/cm.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)/c3nc(sc3)N)C)C(=O)OCOC(=O)C(C)(C)C ;
(2) InChI:InChI=1/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)/b24-11-/t12-,16-/m1/s1;
(3) InChIKey:DASYMCLQENWCJG-XUKDPADIBY
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