5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,diphenylmethyl ester, (6R,7S)- (56610-72-1)

The 7-MAC, with the cas registry number 56610-72-1, has the systematic name of diphenylmethyl (6R,7S)-7-amino-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. This is a kind of faint yellow to yellow powder and is usually applied as the pharmaceutic intermediate, such as being the stem nucleus of some medicine as cefmetazole sodium, cefotetan.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)#H bond acceptors: 10; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 176.06; (9)Index of Refraction: 1.733; (10)Molar Refractivity: 139.66 cm³; (11)Molar Volume: 348.5 cm³; (12)Polarizability: 55.36 ×10^-24 cm³; (13)Surface Tension: 65.1 dyne/cm; (14)Density: 1.5 g/cm³; (15)Flash Point: 403.2 °C; (16)Enthalpy of Vaporization: 108.37 kJ/mol; (17)Boiling Point: 743.2 °C at 760 mmHg; (18)Vapour Pressure: 5.89E-22 mmHg at 25°C.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(N)OC)SC2)C(=O)OC(c4ccccc4)c5ccccc5
(2)InChI:InChI=1/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1
(3)InChIKey:QGXKMJVEULWQSB-VWNXMTODBW