ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[({5-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | C18H29N3O6S2

2-Methyl-2-propanyl 4-[({5-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

  • Molecular FormulaC18H29N3O6S2
  • Average mass447.569 Da
  • Monoisotopic mass447.149780 Da
  • ChemSpider ID31059532

More details:

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

2-Methyl-2-propanyl 4-[({5-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[({5-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-2,2-dimethyl-1,3-oxazolidin-3-carboxylat [German] [ACD/IUPAC Name]
3-Oxazolidinecarboxylic acid, 2,2-dimethyl-4-[[[5-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
4-[({5-[(1,1-Dioxydotétrahydro-3-thiophényl)méthyl]-1,3,4-oxadiazol-2-yl}sulfanyl)méthyl]-2,2-diméthyl-1,3-oxazolidine-3-carboxylate de 2-méthyl-2-propanyle [French] [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: 626.0±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.4±33.7 °C
Index of Refraction: 1.570
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 75.97
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 75.97
Polar Surface Area: 146 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

Click to predict properties on the Chemicalize site


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