ChemSpider 2D Image | 2-Methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide | C21H22N4O2

2-Methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide

  • Molecular FormulaC21H22N4O2
  • Average mass362.425 Da
  • Monoisotopic mass362.174286 Da
  • ChemSpider ID58127529

More details:

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

2-Methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamid [German] [ACD/IUPAC Name]
2-Methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide [ACD/IUPAC Name]
2-Méthoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tétrahydro-1H-3-benzazépin-7-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)- [ACD/Index Name]
1610586-62-3 [RN]
compound 7 [PMID: 25589925]
melk-t1
MELK-TI

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 289.7±3.0 cm3

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