ChemSpider 2D Image | 8-{3-[3-(3,4-Dichlorophenyl)-1-(3-methylbutanoyl)-3-pyrrolidinyl]propyl}-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one | C32H42Cl2N4O3

8-{3-[3-(3,4-Dichlorophenyl)-1-(3-methylbutanoyl)-3-pyrrolidinyl]propyl}-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC32H42Cl2N4O3
  • Average mass601.607 Da
  • Monoisotopic mass600.263367 Da
  • ChemSpider ID8569261

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-[3-(3,4-dichlorophenyl)-1-(3-methyl-1-oxobutyl)-3-pyrrolidinyl]propyl]-1-(3-methoxyphenyl)- [ACD/Index Name]
8-{3-[3-(3,4-Dichlorophenyl)-1-(3-methylbutanoyl)-3-pyrrolidinyl]propyl}-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-{3-[3-(3,4-Dichlorophényl)-1-(3-méthylbutanoyl)-3-pyrrolidinyl]propyl}-1-(3-méthoxyphényl)-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-{3-[3-(3,4-Dichlorphenyl)-1-(3-methylbutanoyl)-3-pyrrolidinyl]propyl}-1-(3-methoxyphenyl)-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: 781.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 426.2±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 9.15
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 46.76
ACD/KOC (pH 7.4): 181.78
Polar Surface Area: 65 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 467.1±5.0 cm3

Click to predict properties on the Chemicalize site


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