ChemSpider 2D Image | N-{5-[(6-Bromo-2-methoxy-1-naphthyl)methyl]-2-(2-methoxyethyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl}-N~2~-methyl-L-alaninamide | C29H34BrN3O5

N-{5-[(6-Bromo-2-methoxy-1-naphthyl)methyl]-2-(2-methoxyethyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl}-N2-methyl-L-alaninamide

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID76767701

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

N-{5-[(6-Brom-2-methoxy-1-naphthyl)methyl]-2-(2-methoxyethyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl}-N2-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-{5-[(6-Bromo-2-methoxy-1-naphthyl)methyl]-2-(2-methoxyethyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl}-N2-methyl-L-alaninamide [ACD/IUPAC Name]
N-{5-[(6-Bromo-2-méthoxy-1-naphtyl)méthyl]-2-(2-méthoxyéthyl)-2-méthyl-4-oxo-2,3,4,5-tétrahydro-1,5-benzoxazépin-3-yl}-N2-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-[5-[(6-bromo-2-methoxy-1-naphthalenyl)methyl]-2,3,4,5-tetrahydro-2-(2-methoxyethyl)-2-methyl-4-oxo-1,5-benzoxazepin-3-yl]-2-(methylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.3±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 11.99
ACD/KOC (pH 5.5): 53.44
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 535.47
ACD/KOC (pH 7.4): 2386.93
Polar Surface Area: 89 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 422.5±5.0 cm3

Click to predict properties on the Chemicalize site


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