ChemSpider 2D Image | Methyl 4-({2-oxo-5-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]-1-azepanyl}methyl)benzoate | C29H37N3O3

Methyl 4-({2-oxo-5-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]-1-azepanyl}methyl)benzoate

  • Molecular FormulaC29H37N3O3
  • Average mass475.622 Da
  • Monoisotopic mass475.283478 Da
  • ChemSpider ID22215058

More details:

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

4-({2-Oxo-5-[4-(1,2,3,4-tétrahydro-2-naphtalényl)-1-pipérazinyl]-1-azépanyl}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[hexahydro-2-oxo-5-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]-1H-azepin-1-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-({2-oxo-5-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]-1-azepanyl}methyl)benzoate [ACD/IUPAC Name]
Methyl-4-({2-oxo-5-[4-(1,2,3,4-tetrahydro-2-naphthalinyl)-1-piperazinyl]-1-azepanyl}methyl)benzoat [German] [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: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.6±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 10.73
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 91.30
ACD/KOC (pH 7.4): 547.52
Polar Surface Area: 53 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

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