ChemSpider 2D Image | 24DSZ1VN92 | C31H33ClN2O3

24DSZ1VN92

  • Molecular FormulaC31H33ClN2O3
  • Average mass517.058 Da
  • Monoisotopic mass516.217957 Da
  • ChemSpider ID8112016

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

24DSZ1VN92
618430-39-0 [RN]
Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl]-2-methylpropyl]-4-methyl- [ACD/Index Name]
N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chlor-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamid [German] [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromén-2-yl)-2-méthylpropyl]-4-méthylbenzamide [French] [ACD/IUPAC Name]
618430-39-0 (free base)
6LX
940929-33-9 [RN]
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 24.12
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 102.82
ACD/KOC (pH 7.4): 256.34
Polar Surface Area: 73 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

Click to predict properties on the Chemicalize site


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