ChemSpider 2D Image | N-[2-Amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-({[(Z)-2-(6-bromo-1H-indol-3-yl)vinyl]amino}acetyl)histidinamide | C27H28BrN7O5

N-[2-Amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-({[(Z)-2-(6-bromo-1H-indol-3-yl)vinyl]amino}acetyl)histidinamide

  • Molecular FormulaC27H28BrN7O5
  • Average mass610.459 Da
  • Monoisotopic mass609.133545 Da
  • ChemSpider ID64884661

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Imidazole-4-propanamide, α-amino-N-[2-amino-3-(3,4-dihydroxyphenyl)-1-oxopropyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]- [ACD/Index Name]
N-[2-Amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-({[(Z)-2-(6-brom-1H-indol-3-yl)vinyl]amino}acetyl)histidinamid [German] [ACD/IUPAC Name]
N-[2-Amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-({[(Z)-2-(6-bromo-1H-indol-3-yl)vinyl]amino}acetyl)histidinamide [ACD/IUPAC Name]
N-[2-Amino-3-(3,4-dihydroxyphényl)propanoyl]-N-(2-{[(Z)-2-(6-bromo-1H-indol-3-yl)vinyl]amino}acétyl)histidinamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 949.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.0±3.0 kJ/mol
Flash Point: 528.2±37.1 °C
Index of Refraction: 1.746
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 35.25
Polar Surface Area: 203 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 84.6±3.0 dyne/cm
Molar Volume: 379.9±3.0 cm3

Click to predict properties on the Chemicalize site


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