ChemSpider 2D Image | N-[2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-3-(8-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)propanamide | C29H40N2O4

N-[2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-3-(8-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)propanamide

  • Molecular FormulaC29H40N2O4
  • Average mass480.639 Da
  • Monoisotopic mass480.298798 Da
  • ChemSpider ID23072569

More details:

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

1,4-Benzoxazepine-4(5H)-propanamide, 2,3-dihydro-8-methoxy-2-methyl-N-[2-(tetrahydro-2,2-dimethyl-4-phenyl-2H-pyran-4-yl)ethyl]- [ACD/Index Name]
N-[2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-3-(8-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)propanamid [German] [ACD/IUPAC Name]
N-[2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-3-(8-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)propanamide [ACD/IUPAC Name]
N-[2-(2,2-Diméthyl-4-phényltétrahydro-2H-pyran-4-yl)éthyl]-3-(8-méthoxy-2-méthyl-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 83.61
ACD/KOC (pH 5.5): 393.93
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 979.86
ACD/KOC (pH 7.4): 4616.75
Polar Surface Area: 60 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 447.7±3.0 cm3

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