ChemSpider 2D Image | 4-{[(2S,5S,8S)-5-Benzyl-8-isopropyl-1-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-1H-diimidazo[1,2-d:2',1'-g][1,4]diazepin-2-yl]methyl}phenol | C34H40N4O

4-{[(2S,5S,8S)-5-Benzyl-8-isopropyl-1-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-1H-diimidazo[1,2-d:2',1'-g][1,4]diazepin-2-yl]methyl}phenol

  • Molecular FormulaC34H40N4O
  • Average mass520.708 Da
  • Monoisotopic mass520.320190 Da
  • ChemSpider ID59003572

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-{[(2S,5S,8S)-5-Benzyl-8-isopropyl-1-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-1H-diimidazo[1,2-d:2',1'-g][1,4]diazepin-2-yl]methyl}phenol [German] [ACD/IUPAC Name]
4-{[(2S,5S,8S)-5-Benzyl-8-isopropyl-1-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-1H-diimidazo[1,2-d:2',1'-g][1,4]diazepin-2-yl]methyl}phenol [ACD/IUPAC Name]
4-{[(2S,5S,8S)-5-Benzyl-8-isopropyl-1-(2-phényléthyl)-2,3,5,6,8,9-hexahydro-1H-diimidazo[1,2-d:2',1'-g][1,4]diazépin-2-yl]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 4-[[(2S,5S,8S)-2,3,5,6,8,9-hexahydro-8-(1-methylethyl)-1-(2-phenylethyl)-5-(phenylmethyl)-1H-diimidazo[1,2-d:2',1'-g][1,4]diazepin-2-yl]methyl]- [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: 680.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 365.2±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 159.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 29.62
ACD/KOC (pH 5.5): 76.93
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 89.17
ACD/KOC (pH 7.4): 231.60
Polar Surface Area: 42 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 440.7±7.0 cm3

Click to predict properties on the Chemicalize site


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