ChemSpider 2D Image | 1-{1-[4-({1-[(4,6-Dimethyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl}oxy)-2-methoxybenzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one | C34H40N4O6

1-{1-[4-({1-[(4,6-Dimethyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl}oxy)-2-methoxybenzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC34H40N4O6
  • Average mass600.705 Da
  • Monoisotopic mass600.294800 Da
  • ChemSpider ID8802777

More details:

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

1-{1-[4-({1-[(4,6-Dimethyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl}oxy)-2-methoxybenzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
1-{1-[4-({1-[(4,6-Dimethyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl}oxy)-2-methoxybenzoyl]-4-piperidinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
1-{1-[4-({1-[(4,6-dimethyl-1-oxidopyridin-3-yl)methyl]piperidin-4-yl}oxy)-2-methoxybenzoyl]piperidin-4-yl}-1,4-dihydro-2H-3,1-benzoxazin-2-one
1-{1-[4-({1-[(4,6-Diméthyl-1-oxydo-3-pyridinyl)méthyl]-4-pipéridinyl}oxy)-2-méthoxybenzoyl]-4-pipéridinyl}-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
2H-3,1-Benzoxazin-2-one, 1-[1-[4-[[1-[(4,6-dimethyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl]oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro- [ACD/Index Name]
1-(1-{4-[1-(4,6-Dimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CHEMBL68199

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

Density: 1.3±0.1 g/cm3
Boiling Point: 817.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 448.1±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 165.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 21.11
ACD/KOC (pH 5.5): 171.50
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 153.74
ACD/KOC (pH 7.4): 1248.96
Polar Surface Area: 97 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 459.6±7.0 cm3

Click to predict properties on the Chemicalize site


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