ChemSpider 2D Image | TERT-BUTYL 3-[4-(THIOPHEN-2-YL)PYRIMIDIN-2-YL]PIPERIDINE-1-CARBOXYLATE | C18H23N3O2S

TERT-BUTYL 3-[4-(THIOPHEN-2-YL)PYRIMIDIN-2-YL]PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC18H23N3O2S
  • Average mass345.459 Da
  • Monoisotopic mass345.151093 Da
  • ChemSpider ID29737571

More details:

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

1785761-27-4 [RN]
1-Piperidinecarboxylic acid, 3-[4-(2-thienyl)-2-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[4-(2-thienyl)-2-pyrimidinyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[4-(2-thienyl)-2-pyrimidinyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[4-(2-Thiényl)-2-pyrimidinyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-[4-(THIOPHEN-2-YL)PYRIMIDIN-2-YL]PIPERIDINE-1-CARBOXYLATE
1-piperidinecarboxylic acid, 3-[4-(2-thienyl)-2-pyrimidinyl], 1,1-dimethylethyl ester
MFCD26792699 [MDL number]
tert-Butyl 3-(4-(thiophen-2-yl)pyrimidin-2-yl)piperidine-1-carboxylate
tert-butyl 3-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carboxylate
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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: 476.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 242.0±27.3 °C
    Index of Refraction: 1.569
    Molar Refractivity: 95.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 263.01
    ACD/KOC (pH 5.5): 1878.28
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 263.14
    ACD/KOC (pH 7.4): 1879.23
    Polar Surface Area: 84 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 290.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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