ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-{[6-ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-piperidinecarboxylate | C17H27N3O4S

2-Methyl-2-propanyl (3S)-3-{[6-ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-piperidinecarboxylate

  • Molecular FormulaC17H27N3O4S
  • Average mass369.479 Da
  • Monoisotopic mass369.172241 Da
  • ChemSpider ID32793671

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[6-Éthoxy-2-(méthylsulfanyl)-4-pyrimidinyl]oxy}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-[[6-ethoxy-2-(methylthio)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-{[6-ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-{[6-ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 256.1±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.83
ACD/KOC (pH 5.5): 2003.77
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.84
ACD/KOC (pH 7.4): 2003.87
Polar Surface Area: 99 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 305.7±5.0 cm3

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