ChemSpider 2D Image | N-(3-Aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-4H-thiochromen-2-yl)-2-methylpropyl]-4-methylbenzamide | C31H33ClN2O2S

N-(3-Aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-4H-thiochromen-2-yl)-2-methylpropyl]-4-methylbenzamide

  • Molecular FormulaC31H33ClN2O2S
  • Average mass533.124 Da
  • Monoisotopic mass532.195129 Da
  • ChemSpider ID8004234

More details:

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

Benzamide, N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzothiopyran-2-yl]-2-methylpropyl]-4-methyl- [ACD/Index Name]
N-(3-Aminopropyl)-N-[1-(3-benzyl-7-chlor-4-oxo-4H-thiochromen-2-yl)-2-methylpropyl]-4-methylbenzamid [German] [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-4H-thiochromen-2-yl)-2-methylpropyl]-4-methylbenzamide [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-4H-thiochromén-2-yl)-2-méthylpropyl]-4-méthylbenzamide [French] [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: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 10.53
ACD/KOC (pH 5.5): 25.71
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 119.60
ACD/KOC (pH 7.4): 291.99
Polar Surface Area: 89 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 433.4±3.0 cm3

Click to predict properties on the Chemicalize site


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