ChemSpider 2D Image | L-372662 | C33H38N4O6

L-372662

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID4470722

More details:

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

1-{1-[2-Methoxy-4-({1-[(2-methyl-1-oxido-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-[(2-methyl-1-oxido-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-[(2-methyl-1-oxidopyridin-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-[(2-méthyl-1-oxydo-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-[(2-methyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl]oxy]benzoyl]-4-piperidinyl]- [ACD/Index Name]
L-372662
1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
1-[1-[2-methoxy-4-[1-[(2-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
162045-26-3 [RN]
3-((4-(3-methoxy-4-(4-(2-oxo-2h-benzo[d][1,3]oxazin-1(4h)-yl)piperidine-1-carbonyl)phenoxy)piperidin-1-yl)methyl)-2-methylpyridine 1-oxide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 810.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 161.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 106.03
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.11
ACD/KOC (pH 7.4): 741.64
Polar Surface Area: 97 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 444.5±7.0 cm3

Click to predict properties on the Chemicalize site


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