ChemSpider 2D Image | 2-Methyl-2-propanyl [3-(5-{5-[(4-methoxyphenyl)sulfonyl]-2,4-dioxo-1,3-thiazolidin-5-yl}-1-pentyn-1-yl)-4-methylphenyl]carbamate | C27H30N2O7S2

2-Methyl-2-propanyl [3-(5-{5-[(4-methoxyphenyl)sulfonyl]-2,4-dioxo-1,3-thiazolidin-5-yl}-1-pentyn-1-yl)-4-methylphenyl]carbamate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID8319762

More details:

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

[3-(5-{5-[(4-Méthoxyphényl)sulfonyl]-2,4-dioxo-1,3-thiazolidin-5-yl}-1-pentyn-1-yl)-4-méthylphényl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [3-(5-{5-[(4-methoxyphenyl)sulfonyl]-2,4-dioxo-1,3-thiazolidin-5-yl}-1-pentyn-1-yl)-4-methylphenyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[3-(5-{5-[(4-methoxyphenyl)sulfonyl]-2,4-dioxo-1,3-thiazolidin-5-yl}-1-pentin-1-yl)-4-methylphenyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[5-[5-[(4-methoxyphenyl)sulfonyl]-2,4-dioxo-5-thiazolidinyl]-1-pentyn-1-yl]-4-methylphenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 66.53
ACD/KOC (pH 5.5): 296.67
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 14.49
ACD/KOC (pH 7.4): 64.62
Polar Surface Area: 162 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 408.6±5.0 cm3

Click to predict properties on the Chemicalize site


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