ChemSpider 2D Image | TERT-BUTYL 3-{[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}PIPERIDINE-1-CARBOXYLATE | C15H23N3O3S

TERT-BUTYL 3-{[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC15H23N3O3S
  • Average mass325.426 Da
  • Monoisotopic mass325.146027 Da
  • ChemSpider ID27457930

More details:

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

1261235-91-9 [RN]
1-Piperidinecarboxylic acid, 3-[[2-(methylthio)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[2-(Méthylsulfanyl)-4-pyrimidinyl]oxy}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-{[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}PIPERIDINE-1-CARBOXYLATE
3-(2-METHYLSULFANYL PYRIMIDIN-4-YLOXY)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(2-methylsulfanylpyrimidin-4-yloxy)piperidine-1-carboxylic acid tert-butyl ester
3-(2-Methylsulfanyl-pyrimidin-4-yloxy)piperidine-1-carboxylic acid tert-butyl ester
3-(2-Methylsulfanyl-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
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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: 453.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.3±25.9 °C
Index of Refraction: 1.561
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.71
ACD/KOC (pH 5.5): 917.79
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.76
ACD/KOC (pH 7.4): 918.26
Polar Surface Area: 90 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 267.7±5.0 cm3

Click to predict properties on the Chemicalize site


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