Found 666 results

Search term: MF = 'C_{28}H_{29}FN_{2}O_{3}'
ChemSpider 2D Image | N-[2-Ethyl-4-(4-fluorobenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide | C28H29FN2O3

N-[2-Ethyl-4-(4-fluorobenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide

  • Molecular FormulaC28H29FN2O3
  • Average mass460.540 Da
  • Monoisotopic mass460.216217 Da
  • ChemSpider ID22595110

More details:

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

Benzeneacetamide, α-ethyl-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-3-oxo-1,4-benzoxazepin-7-yl]- [ACD/Index Name]
N-[2-Ethyl-4-(4-fluorbenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamid [German] [ACD/IUPAC Name]
N-[2-Ethyl-4-(4-fluorobenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-phenylbutanamide [ACD/IUPAC Name]
N-[2-Éthyl-4-(4-fluorobenzyl)-3-oxo-2,3,4,5-tétrahydro-1,4-benzoxazépin-7-yl]-2-phénylbutanamide [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: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.6±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3295.10
ACD/KOC (pH 5.5): 11473.17
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3295.14
ACD/KOC (pH 7.4): 11473.32
Polar Surface Area: 59 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 380.2±3.0 cm3

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