ChemSpider 2D Image | N-(4-{[(5R)-7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-(~2~H_3_)methyl(~2~H_4_)benzamide | C26H18D7ClN2O3

N-(4-{[(5R)-7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-(2H3)methyl(2H4)benzamide

  • Molecular FormulaC26H18D7ClN2O3
  • Average mass455.984 Da
  • Monoisotopic mass455.199310 Da
  • ChemSpider ID58793388

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Benzamide-2,3,4,5-d4, N-[4-[[(5R)-7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl]carbonyl]-3-methylphenyl]-6-(methyl-d3)- [ACD/Index Name]
N-(4-{[(5R)-7-Chlor-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-(2H3)methyl(2H4)benzamid [German] [ACD/IUPAC Name]
N-(4-{[(5R)-7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-(2H3)methyl(2H4)benzamide [ACD/IUPAC Name]
N-(4-{[(5R)-7-Chloro-5-hydroxy-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]carbonyl}-3-méthylphényl)-2-(2H3)méthyl(2H4)benzamide [French] [ACD/IUPAC Name]
(+)-TOLVAPTAN
150683-30-0 [RN]
MFCD09837707

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 935.98
ACD/KOC (pH 5.5): 4660.49
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 935.97
ACD/KOC (pH 7.4): 4660.48
Polar Surface Area: 70 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 342.4±3.0 cm3

Click to predict properties on the Chemicalize site


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