ChemSpider 2D Image | Methyl (2Z,4Z)-5-{2-[(1R)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-thiazol-4-yl}-2,4-pentadienoate | C16H22N2O4S

Methyl (2Z,4Z)-5-{2-[(1R)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-thiazol-4-yl}-2,4-pentadienoate

  • Molecular FormulaC16H22N2O4S
  • Average mass338.422 Da
  • Monoisotopic mass338.130035 Da
  • ChemSpider ID30652346

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,4Z)-5-{2-[(1R)-1-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1,3-thiazol-4-yl}-2,4-pentadiénoate de méthyle [French] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[2-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-4-thiazolyl]-, methyl ester, (2Z,4Z)- [ACD/Index Name]
Methyl (2Z,4Z)-5-{2-[(1R)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-thiazol-4-yl}-2,4-pentadienoate [ACD/IUPAC Name]
Methyl-(2Z,4Z)-5-{2-[(1R)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-thiazol-4-yl}-2,4-pentadienoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 482.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.5±25.9 °C
Index of Refraction: 1.554
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.13
ACD/KOC (pH 5.5): 676.45
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.13
ACD/KOC (pH 7.4): 676.41
Polar Surface Area: 106 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 288.2±3.0 cm3

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