methicillin

The 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, with the CAS registry number 61-32-5, is also known as 6-(2,6-Dimethoxybenzamido)penicillanic acid. Its EINECS number is 200-505-8. This chemical's molecular formula is C₁₇H₂₀N₂O₆S and molecular weight is 380.42. What's more, its IUPAC name is (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. Its classification codes are: Anti-Bacterial Agents, Anti-Infective Agents, Drug / Therapeutic Agent, Human Data, Mutation data. When you are using this chemical, please be cautious about it. It may cause damage to health. What's more, the product is harmful if swallowed.

Physical properties of 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.78; (4)ACD/LogD (pH 7.4): -2.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 110.68 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 94.44 cm³; (15)Molar Volume: 262.5 cm³; (16)Polarizability: 37.44×10^-24cm³; (17)Surface Tension: 67.3 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 340.9 °C; (20)Enthalpy of Vaporization: 99.32 kJ/mol; (21)Boiling Point: 640 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)c1c(OC)cccc1OC)[C@H]3SC2(C)C
(2)Std. InChI: InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1
(3)Std. InChIKey: RJQXTJLFIWVMTO-TYNCELHUSA-N

The toxicity data is as follows: