ChemSpider 2D Image | (S)-tert-Butyl 3-((6-ethoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate | C16H25N3O4S

(S)-tert-Butyl 3-((6-ethoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate

  • Molecular FormulaC16H25N3O4S
  • Average mass355.452 Da
  • Monoisotopic mass355.156586 Da
  • ChemSpider ID28303606

  • 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-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-((6-ethoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
1353996-78-7 [RN]
1-Pyrrolidinecarboxylic 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-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-{[6-ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-(6-Ethoxy-2-methylsulfanylpyrimidin-4-yloxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Ethoxy-2-methylsulfanyl-pyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(s)-tert-butyl3-((6-ethoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
MFCD21098707 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 487.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.3±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.88
ACD/KOC (pH 5.5): 1158.54
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.89
ACD/KOC (pH 7.4): 1158.60
Polar Surface Area: 99 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

Click to predict properties on the Chemicalize site


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