ChemSpider 2D Image | N-sec-Butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C34H42ClN3O5

N-sec-Butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID16560617

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-methylphenyl)-2-oxoethyl](1-methylpropyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-sec-Butyl-N-{2-[(2-chlor-6-methylphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-sec-Butyl-N-{2-[(2-chloro-6-méthylphényl)amino]-1-(4-méthylphényl)-2-oxoéthyl}-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: 1.2±0.1 g/cm3
Boiling Point: 779.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.3±35.7 °C
Index of Refraction: 1.572
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.17
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 20380.29
ACD/KOC (pH 5.5): 40165.06
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 3484.88
ACD/KOC (pH 7.4): 6867.93
Polar Surface Area: 115 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 517.8±7.0 cm3

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