ChemSpider 2D Image | 8-{3-[1-Acetyl-3-(3,4-dichlorophenyl)-3-pyrrolidinyl]propyl}-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one | C29H36Cl2N4O2

8-{3-[1-Acetyl-3-(3,4-dichlorophenyl)-3-pyrrolidinyl]propyl}-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID8612792

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-[1-acetyl-3-(3,4-dichlorophenyl)-3-pyrrolidinyl]propyl]-1-(3-methylphenyl)- [ACD/Index Name]
8-{3-[1-Acetyl-3-(3,4-dichlorophenyl)-3-pyrrolidinyl]propyl}-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-{3-[1-Acétyl-3-(3,4-dichlorophényl)-3-pyrrolidinyl]propyl}-1-(3-méthylphényl)-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-{3-[1-Acetyl-3-(3,4-dichlorphenyl)-3-pyrrolidinyl]propyl}-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.8±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.46
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 18.12
ACD/KOC (pH 7.4): 94.64
Polar Surface Area: 56 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 412.4±5.0 cm3

Click to predict properties on the Chemicalize site


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