ChemSpider 2D Image | 1-[6-(2-{[9-Fluoro-3-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]methoxy}-3-methylphenyl)-2-pyridinyl]-3-methoxy-4-piperidinecarboxylic acid | C33H38FN3O5

1-[6-(2-{[9-Fluoro-3-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]methoxy}-3-methylphenyl)-2-pyridinyl]-3-methoxy-4-piperidinecarboxylic acid

  • Molecular FormulaC33H38FN3O5
  • Average mass575.670 Da
  • Monoisotopic mass575.279541 Da
  • ChemSpider ID61757951

More details:

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

1-[6-(2-{[9-Fluor-3-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]methoxy}-3-methylphenyl)-2-pyridinyl]-3-methoxy-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[6-(2-{[9-Fluoro-3-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]methoxy}-3-methylphenyl)-2-pyridinyl]-3-methoxy-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[6-[2-[[9-fluoro-2,3,4,5-tetrahydro-3-(3-oxetanyl)-1H-3-benzazepin-7-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxy- [ACD/Index Name]
Acide 1-[6-(2-{[9-fluoro-3-(3-oxétanyl)-2,3,4,5-tétrahydro-1H-3-benzazépin-7-yl]méthoxy}-3-méthylphényl)-2-pyridinyl]-3-méthoxy-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.8±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 11.24
Polar Surface Area: 84 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 434.1±5.0 cm3

Click to predict properties on the Chemicalize site


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