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

8-{3-[3-(3,4-Dichlorophenyl)-1-pentanoyl-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 ID8524043

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-(1-oxopentyl)-3-pyrrolidinyl]propyl]-1-(3-methoxyphenyl)- [ACD/Index Name]
8-{3-[3-(3,4-Dichlorophenyl)-1-pentanoyl-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-pentanoyl-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-pentanoyl-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: 785.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.8±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 9.97
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 52.61
ACD/KOC (pH 7.4): 197.60
Polar Surface Area: 65 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 466.5±5.0 cm3

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