ChemSpider 2D Image | N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}-N-(2-methylcyclopropyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C34H40ClN3O6

N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}-N-(2-methylcyclopropyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide

  • Molecular FormulaC34H40ClN3O6
  • Average mass622.151 Da
  • Monoisotopic mass621.260559 Da
  • ChemSpider ID16559972

More details:

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

Carbamic acid, N-[2-[[2-[(2-chloro-6-methylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methylcyclopropyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{2-[(2-Chlor-6-methylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}-N-(2-methylcyclopropyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}-N-(2-methylcyclopropyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-{2-[(2-Chloro-6-méthylphényl)amino]-1-(4-hydroxy-3-méthylphényl)-2-oxoéthyl}-N-(2-méthylcyclopropyl)-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±37.1 °C
Index of Refraction: 1.609
Molar Refractivity: 168.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7087.24
ACD/KOC (pH 5.5): 18664.78
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 1791.93
ACD/KOC (pH 7.4): 4719.17
Polar Surface Area: 135 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 487.3±7.0 cm3

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