ChemSpider 2D Image | Methyl [1-(2-methoxyethyl)-2,4-dioxo-8-(tetrahydro-2H-thiopyran-4-yl)-1,3,8-triazaspiro[4.5]dec-3-yl]acetate | C18H29N3O5S

Methyl [1-(2-methoxyethyl)-2,4-dioxo-8-(tetrahydro-2H-thiopyran-4-yl)-1,3,8-triazaspiro[4.5]dec-3-yl]acetate

  • Molecular FormulaC18H29N3O5S
  • Average mass399.505 Da
  • Monoisotopic mass399.182800 Da
  • ChemSpider ID22220428

More details:

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

[1-(2-Méthoxyéthyl)-2,4-dioxo-8-(tétrahydro-2H-thiopyrane-4-yl)-1,3,8-triazaspiro[4.5]déc-3-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1,3,8-Triazaspiro[4.5]decane-3-acetic acid, 1-(2-methoxyethyl)-2,4-dioxo-8-(tetrahydro-2H-thiopyran-4-yl)-, methyl ester [ACD/Index Name]
Methyl [1-(2-methoxyethyl)-2,4-dioxo-8-(tetrahydro-2H-thiopyran-4-yl)-1,3,8-triazaspiro[4.5]dec-3-yl]acetate [ACD/IUPAC Name]
Methyl-[1-(2-methoxyethyl)-2,4-dioxo-8-(tetrahydro-2H-thiopyran-4-yl)-1,3,8-triazaspiro[4.5]dec-3-yl]acetat [German] [ACD/IUPAC 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: 522.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.8±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.04
Polar Surface Area: 105 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

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