ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{allyl[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C27H43N3O5S

2-Methyl-2-propanyl [1-{allyl[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID16518356

More details:

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

[1-{Allyl[1-(4-hydroxy-3-méthylphényl)-2-oxo-2-(2-pentanylamino)éthyl]amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{allyl[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{allyl[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(4-hydroxy-3-methylphenyl)-2-[(1-methylbutyl)amino]-2-oxoethyl]-2-propen-1-ylamino]carbonyl]-3-(methylthio)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 678.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.9±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 319.58
ACD/KOC (pH 5.5): 1268.12
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 259.36
ACD/KOC (pH 7.4): 1029.19
Polar Surface Area: 140 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

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