ChemSpider 2D Image | 1,3-Dimethyl-6-({4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-azepanyl]-1-piperidinyl}methyl)-2,4(1H,3H)-pyrimidinedione | C24H38N4O4

1,3-Dimethyl-6-({4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-azepanyl]-1-piperidinyl}methyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC24H38N4O4
  • Average mass446.583 Da
  • Monoisotopic mass446.289307 Da
  • ChemSpider ID30372227

More details:

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

1,3-Dimethyl-6-({4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-azepanyl]-1-piperidinyl}methyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1,3-Dimethyl-6-({4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-azepanyl]-1-piperidinyl}methyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1,3-Diméthyl-6-({4-[1-(tétrahydro-2H-pyran-4-ylcarbonyl)-2-azépanyl]-1-pipéridinyl}méthyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 6-[[4-[hexahydro-1-[(tetrahydro-2H-pyran-4-yl)carbonyl]-1H-azepin-2-yl]-1-piperidinyl]methyl]-1,3-dimethyl- [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: 599.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.4±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 73 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement