ChemSpider 2D Image | 3-{[(2Z)-2-(Dimethylamino)-2-(methylimino)ethyl]sulfanyl}-6-(1-fluoroethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C14H20FN3O3S

3-{[(2Z)-2-(Dimethylamino)-2-(methylimino)ethyl]sulfanyl}-6-(1-fluoroethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC14H20FN3O3S
  • Average mass329.390 Da
  • Monoisotopic mass329.120941 Da
  • ChemSpider ID28564188
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(2Z)-2-(dimethylamino)-2-(methylimino)ethyl]thio]-6-(1-fluoroethyl)-7-oxo- [ACD/Index Name]
3-{[(2Z)-2-(Dimethylamino)-2-(methylimino)ethyl]sulfanyl}-6-(1-fluorethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
3-{[(2Z)-2-(Dimethylamino)-2-(methylimino)ethyl]sulfanyl}-6-(1-fluoroethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[(2Z)-2-(diméthylamino)-2-(méthylimino)éthyl]sulfanyl}-6-(1-fluoroéthyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
126210-33-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 514.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 264.8±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 233.1±7.0 cm3

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