ChemSpider 2D Image | 1-{1-[2-Methoxy-4-({1-[(1-oxido-2-propyl-3-pyridinyl)methyl]-4-piperidinyl}oxy)benzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one | C35H42N4O6

1-{1-[2-Methoxy-4-({1-[(1-oxido-2-propyl-3-pyridinyl)methyl]-4-piperidinyl}oxy)benzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID8779199

More details:

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

1-{1-[2-Methoxy-4-({1-[(1-oxido-2-propyl-3-pyridinyl)methyl]-4-piperidinyl}oxy)benzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
1-{1-[2-Methoxy-4-({1-[(1-oxido-2-propyl-3-pyridinyl)methyl]-4-piperidinyl}oxy)benzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
1-{1-[2-methoxy-4-({1-[(1-oxido-2-propylpyridin-3-yl)methyl]piperidin-4-yl}oxy)benzoyl]piperidin-4-yl}-1,4-dihydro-2H-3,1-benzoxazin-2-one
1-{1-[2-Méthoxy-4-({1-[(1-oxydo-2-propyl-3-pyridinyl)méthyl]-4-pipéridinyl}oxy)benzoyl]-4-pipéridinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-1-[1-[2-methoxy-4-[[1-[(1-oxido-2-propyl-3-pyridinyl)methyl]-4-piperidinyl]oxy]benzoyl]-4-piperidinyl]- [ACD/Index Name]
1-(1-{2-Methoxy-4-[1-(1-oxy-2-propyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CHEMBL69202

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.8±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 170.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 47.77
ACD/KOC (pH 5.5): 317.08
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 315.83
ACD/KOC (pH 7.4): 2096.56
Polar Surface Area: 97 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 476.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement