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Search term: ARWMKZDWGIOCEU-AREMUKBSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2S)-2-Cyclopropyl-4-[2-(hydroxymethyl)benzyl]-6-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydro-1(2H)-quinoxalinyl]ethanone | C26H31N3O2

1-[(2S)-2-Cyclopropyl-4-[2-(hydroxymethyl)benzyl]-6-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydro-1(2H)-quinoxalinyl]ethanone

  • Molecular FormulaC26H31N3O2
  • Average mass417.543 Da
  • Monoisotopic mass417.241638 Da
  • ChemSpider ID88297643

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-Cyclopropyl-4-[2-(hydroxymethyl)benzyl]-6-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydro-1(2H)-chinoxalinyl]ethanon [German] [ACD/IUPAC Name]
1-[(2S)-2-Cyclopropyl-4-[2-(hydroxymethyl)benzyl]-6-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydro-1(2H)-quinoxalinyl]ethanone [ACD/IUPAC Name]
1-[(2S)-2-Cyclopropyl-4-[2-(hydroxyméthyl)benzyl]-6-(1,2,3,6-tétrahydro-4-pyridinyl)-3,4-dihydro-1(2H)-quinoxalinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S)-2-cyclopropyl-3,4-dihydro-4-[[2-(hydroxymethyl)phenyl]methyl]-6-(1,2,3,6-tetrahydro-4-pyridinyl)-1(2H)-quinoxalinyl]- [ACD/Index Name]
(S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
1-[(2S)-2-cyclopropyl-4-[[2-(hydroxymethyl)phenyl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
2222509-79-5 [RN]
GSK340
T24110

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.4±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 14.23
Polar Surface Area: 56 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 337.2±3.0 cm3

Click to predict properties on the Chemicalize site


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