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

2-Methyl-2-propanyl 4-({[6-methoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}methyl)-1-piperidinecarboxylate

  • Molecular FormulaC17H27N3O4S
  • Average mass369.479 Da
  • Monoisotopic mass369.172241 Da
  • ChemSpider ID28303670

More details:






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

1-Piperidinecarboxylic acid, 4-[[[6-methoxy-2-(methylthio)-4-pyrimidinyl]oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({[6-methoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({[6-methoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({[6-Méthoxy-2-(méthylsulfanyl)-4-pyrimidinyl]oxy}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1353962-38-5 [RN]
4-(6-Methoxy-2-methylsulfanylpyrimidin-4-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
4-(6-Methoxy-2-methylsulfanyl-pyrimidin-4-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
4-(6-Methoxy-2-methylsulfanyl-pyrimidin-4-yloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
MFCD21098791 [MDL number]
tert-Butyl 4-(((6-methoxy-2-(methylthio)pyrimidin-4-yl)oxy)methyl)piperidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 500.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.7±24.6 °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: 4.01
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.62
ACD/KOC (pH 5.5): 1907.11
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.63
ACD/KOC (pH 7.4): 1907.20
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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