ChemSpider 2D Image | ({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester | C25H28N2O6

({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester

  • Molecular FormulaC25H28N2O6
  • Average mass452.500 Da
  • Monoisotopic mass452.194733 Da
  • ChemSpider ID25058338
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester
[2-({3-[(1S)-1-(4-Hydroxy-2-oxo-2H-chromén-3-yl)propyl]phényl}amino)-2-oxoéthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[3-[(1S)-1-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propyl]phenyl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}carbamoyl)methyl]carbamate
tert-butyl N-[({3-[(1S)-1-(4-hydroxy-2-oxochromen-3-yl)propyl]phenyl}carbamoyl)methyl]carbamate
U04

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 43.51
ACD/KOC (pH 5.5): 262.35
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.52
Polar Surface Area: 114 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 350.1±3.0 cm3

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