ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C31H39N3O6S

2-Methyl-2-propanyl [1-{(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID16518931

More details:






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

[1-{(2-Hydroxyéthyl)[1-(4-hydroxy-3-méthylphényl)-2-(2-naphtylamino)-2-oxoéthyl]amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-(2-naphthalenylamino)-2-oxoethyl]amino]carbonyl]-3-(methylthio)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 801.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.3±37.1 °C
Index of Refraction: 1.595
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 857.80
ACD/KOC (pH 5.5): 3865.56
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 494.76
ACD/KOC (pH 7.4): 2229.58
Polar Surface Area: 160 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 473.8±7.0 cm3

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