ChemSpider 2D Image | 2-[(E)-2-(1-Ethyl-2-methyl-1H-indol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-4(3H)-quinazolinone | C24H24IN3O2

2-[(E)-2-(1-Ethyl-2-methyl-1H-indol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-4(3H)-quinazolinone

  • Molecular FormulaC24H24IN3O2
  • Average mass513.371 Da
  • Monoisotopic mass513.091309 Da
  • ChemSpider ID21815000

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-2-(1-Ethyl-2-methyl-1H-indol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iod-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[(E)-2-(1-Ethyl-2-methyl-1H-indol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[(E)-2-(1-Éthyl-2-méthyl-1H-indol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[(E)-2-(1-ethyl-2-methyl-1H-indol-3-yl)ethenyl]-3-(3-hydroxypropyl)-6-iodo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.6±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 127.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1977.00
ACD/KOC (pH 5.5): 7959.26
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1977.08
ACD/KOC (pH 7.4): 7959.58
Polar Surface Area: 58 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 341.4±7.0 cm3

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