ChemSpider 2D Image | (3E)-3-(1H-Imidazol-4-ylmethylene)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione | C17H15N5O2

(3E)-3-(1H-Imidazol-4-ylmethylene)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione

  • Molecular FormulaC17H15N5O2
  • Average mass321.333 Da
  • Monoisotopic mass321.122589 Da
  • ChemSpider ID29215612
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-3-(1H-Imidazol-4-ylmethylen)-6-(1H-indol-3-ylmethyl)-2,5-piperazindion [German] [ACD/IUPAC Name]
(3E)-3-(1H-Imidazol-4-ylmethylene)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione [ACD/IUPAC Name]
(3E)-3-(1H-Imidazol-4-ylméthylène)-6-(1H-indol-3-ylméthyl)-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-(1H-imidazol-4-ylmethylene)-6-(1H-indol-3-ylmethyl)-, (3E)- [ACD/Index Name]
dehydrohistidyltryptophyldiketopiperazine
DHTD
penilloid A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 894.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 494.7±34.3 °C
Index of Refraction: 1.747
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.26
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.03
Polar Surface Area: 103 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 221.6±3.0 cm3

Click to predict properties on the Chemicalize site






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