ChemSpider 2D Image | {(4aS,8aR)-1-(2-Methoxyethyl)-6-[(5-methyl-2-furyl)methyl]-2,2-dioxidooctahydro-4aH-pyrido[4,3-c][1,2]thiazin-4a-yl}(4-morpholinyl)methanone | C21H33N3O6S

{(4aS,8aR)-1-(2-Methoxyethyl)-6-[(5-methyl-2-furyl)methyl]-2,2-dioxidooctahydro-4aH-pyrido[4,3-c][1,2]thiazin-4a-yl}(4-morpholinyl)methanone

  • Molecular FormulaC21H33N3O6S
  • Average mass455.568 Da
  • Monoisotopic mass455.209015 Da
  • ChemSpider ID65156264

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(4aS,8aR)-1-(2-Methoxyethyl)-6-[(5-methyl-2-furyl)methyl]-2,2-dioxidooctahydro-4aH-pyrido[4,3-c][1,2]thiazin-4a-yl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
{(4aS,8aR)-1-(2-Methoxyethyl)-6-[(5-methyl-2-furyl)methyl]-2,2-dioxidooctahydro-4aH-pyrido[4,3-c][1,2]thiazin-4a-yl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{(4aS,8aR)-1-(2-Méthoxyéthyl)-6-[(5-méthyl-2-furyl)méthyl]-2,2-dioxydooctahydro-4aH-pyrido[4,3-c][1,2]thiazin-4a-yl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, 4-morpholinyl[(4aS,8aR)-octahydro-1-(2-methoxyethyl)-6-[(5-methyl-2-furanyl)methyl]-2,2-dioxido-4aH-pyrido[4,3-c][1,2]thiazin-4a-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 64.19
Polar Surface Area: 101 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 355.6±3.0 cm3

Click to predict properties on the Chemicalize site


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