ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-{[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidinecarboxylate | C14H20ClN3O3S

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

  • Molecular FormulaC14H20ClN3O3S
  • Average mass345.845 Da
  • Monoisotopic mass345.091400 Da
  • ChemSpider ID28303419

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[6-Chloro-2-(méthylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-[[6-chloro-2-(methylthio)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-{[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-{[6-chlor-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-(2-Chloro-6-methylsulfanylpyridin-4-yloxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(2-Chloro-6-methylsulfanyl-pyridin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-((2-chloro-6-(methylthio)pyridin-4-yl)oxy)pyrrolidine-1-carboxylate
1353999-89-9 [RN]
MFCD21098510
TERT-BUTYL (3S)-3-{[6-CHLORO-2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}PYRROLIDINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.0±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.34
ACD/KOC (pH 5.5): 1376.52
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.34
ACD/KOC (pH 7.4): 1376.52
Polar Surface Area: 90 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

Click to predict properties on the Chemicalize site


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