ChemSpider 2D Image | 1-(3-Methylbutyl)-3-[3-(4-pyridinyl)propyl]-8-(tetrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | C25H38N4O3

1-(3-Methylbutyl)-3-[3-(4-pyridinyl)propyl]-8-(tetrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC25H38N4O3
  • Average mass442.594 Da
  • Monoisotopic mass442.294403 Da
  • ChemSpider ID22212704

More details:

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

1-(3-Methylbutyl)-3-[3-(4-pyridinyl)propyl]-8-(tetrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
1-(3-Methylbutyl)-3-[3-(4-pyridinyl)propyl]-8-(tetrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
1-(3-Méthylbutyl)-3-[3-(4-pyridinyl)propyl]-8-(tétrahydro-2H-pyran-4-yl)-1,3,8-triazaspiro[4.5]décane-2,4-dione [French] [ACD/IUPAC Name]
1,3,8-Triazaspiro[4.5]decane-2,4-dione, 1-(3-methylbutyl)-3-[3-(4-pyridinyl)propyl]-8-(tetrahydro-2H-pyran-4-yl)- [ACD/Index 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: 578.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.5±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 33.49
ACD/KOC (pH 7.4): 188.09
Polar Surface Area: 66 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

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