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Search term: VZCULZJNALRGNB-CZJMETBBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-({[(3S,4aR,8aS)-2-(4-Biphenylylcarbonyl)decahydro-3-isoquinolinyl]methyl}amino)-3-(1H-imidazol-5-yl)propanal | C29H34N4O2

(2S)-2-({[(3S,4aR,8aS)-2-(4-Biphenylylcarbonyl)decahydro-3-isoquinolinyl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

  • Molecular FormulaC29H34N4O2
  • Average mass470.606 Da
  • Monoisotopic mass470.268188 Da
  • ChemSpider ID35035110

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-({[(3S,4aR,8aS)-2-(4-Biphenylylcarbonyl)decahydro-3-isochinolinyl]methyl}amino)-3-(1H-imidazol-5-yl)propanal [German] [ACD/IUPAC Name]
(2S)-2-({[(3S,4aR,8aS)-2-(4-Biphénylylcarbonyl)décahydro-3-isoquinoléinyl]méthyl}amino)-3-(1H-imidazol-5-yl)propanal [French] [ACD/IUPAC Name]
(2S)-2-({[(3S,4aR,8aS)-2-(4-Biphenylylcarbonyl)decahydro-3-isoquinolinyl]methyl}amino)-3-(1H-imidazol-5-yl)propanal [ACD/IUPAC Name]
(2s)-2-({[(3s,4ar,8as)-2-(Biphenyl-4-Ylcarbonyl)decahydroisoquinolin-3-Yl]methyl}amino)-3-(1h-Imidazol-5-Yl)propanal
1H-Imidazole-5-propanal, α-[[[(3S,4aR,8aS)-2-([1,1'-biphenyl]-4-ylcarbonyl)decahydro-3-isoquinolinyl]methyl]amino]-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 6.69
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 228.33
ACD/KOC (pH 7.4): 1200.31
Polar Surface Area: 78 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 401.1±3.0 cm3

Click to predict properties on the Chemicalize site


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