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Search term: DATA_SOURCE in ('Paul Baures')
ChemSpider 2D Image | 2-Methyl-2-propanyl N-({4-[(diphenylmethyl)carbamoyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninate | C31H32N4O4

2-Methyl-2-propanyl N-({4-[(diphenylmethyl)carbamoyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninate

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID21447254

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-({4-[(diphenylmethyl)carbamoyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-({4-[(diphenylmethyl)carbamoyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[[5-[[(diphenylmethyl)amino]carbonyl]-1H-imidazol-4-yl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-({4-[(Diphénylméthyl)carbamoyl]-1H-imidazol-5-yl}carbonyl)-L-phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
AE07_PA03

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

Density: 1.2±0.1 g/cm3
Boiling Point: 821.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 450.7±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3436.62
ACD/KOC (pH 5.5): 11819.50
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3127.10
ACD/KOC (pH 7.4): 10754.97
Polar Surface Area: 113 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 429.9±3.0 cm3

Click to predict properties on the Chemicalize site


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