Found 1 result

Search term: XNHGTBUNOHTHEA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-(Benzyloxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,4,5-trimethoxybenzyl)-1,4-diazepan-2-one | C28H38N2O6

6-(Benzyloxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,4,5-trimethoxybenzyl)-1,4-diazepan-2-one

  • Molecular FormulaC28H38N2O6
  • Average mass498.611 Da
  • Monoisotopic mass498.272980 Da
  • ChemSpider ID22184194

More details:

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

2H-1,4-Diazepin-2-one, hexahydro-6-(phenylmethoxy)-1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
6-(Benzyloxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,4,5-trimethoxybenzyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
6-(Benzyloxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,4,5-trimethoxybenzyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
6-(Benzyloxy)-1-(tétrahydro-2H-pyran-4-ylméthyl)-4-(3,4,5-triméthoxybenzyl)-1,4-diazépan-2-one [French] [ACD/IUPAC 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: 633.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 40.77
ACD/KOC (pH 5.5): 396.11
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.78
ACD/KOC (pH 7.4): 852.84
Polar Surface Area: 70 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 412.4±5.0 cm3

Click to predict properties on the Chemicalize site


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