ChemSpider 2D Image | [dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine | C28H29F5N4O3

[dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine

  • Molecular FormulaC28H29F5N4O3
  • Average mass564.547 Da
  • Monoisotopic mass564.216003 Da
  • ChemSpider ID4450886

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine
L-Prolinamide, N-methyl-D-phenylalanyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1H-indol-3-ylmethyl)-2-oxobutyl]- [ACD/Index Name]
N-Methyl-D-phenylalanyl-N-[(2S)-4,4,5,5,5-pentafluor-1-(1H-indol-3-yl)-3-oxo-2-pentanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-Methyl-D-phenylalanyl-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxo-2-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-Méthyl-D-phénylalanyl-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxo-2-pentanyl]-L-prolinamide [French] [ACD/IUPAC Name]
MDL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.3±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 16.06
ACD/KOC (pH 5.5): 51.40
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 818.75
ACD/KOC (pH 7.4): 2619.67
Polar Surface Area: 94 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 418.0±3.0 cm3

Click to predict properties on the Chemicalize site


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