ChemSpider 2D Image | 2-[(2-Furylmethyl)sulfinyl]-N-[(2Z)-4-({4-[(~2~H_10_)-1-piperidinylmethyl]-2-pyridinyl}oxy)-2-buten-1-yl]acetamide | C22H19D10N3O4S

2-[(2-Furylmethyl)sulfinyl]-N-[(2Z)-4-({4-[(2H10)-1-piperidinylmethyl]-2-pyridinyl}oxy)-2-buten-1-yl]acetamide

  • Molecular FormulaC22H19D10N3O4S
  • Average mass441.610 Da
  • Monoisotopic mass441.250641 Da
  • ChemSpider ID48060253

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(2-Furylmethyl)sulfinyl]-N-[(2Z)-4-({4-[(2H10)-1-piperidinylmethyl]-2-pyridinyl}oxy)-2-buten-1-yl]acetamid [German] [ACD/IUPAC Name]
2-[(2-Furylmethyl)sulfinyl]-N-[(2Z)-4-({4-[(2H10)-1-piperidinylmethyl]-2-pyridinyl}oxy)-2-buten-1-yl]acetamide [ACD/IUPAC Name]
2-[(2-Furylméthyl)sulfinyl]-N-[(2Z)-4-({4-[(2H10)-1-pipéridinylméthyl]-2-pyridinyl}oxy)-2-butén-1-yl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(2-furanylmethyl)sulfinyl]-N-[(2Z)-4-[[4-(1-piperidinyl-d10-methyl)-2-pyridinyl]oxy]-2-buten-1-yl]- [ACD/Index Name]
1795136-26-3 [RN]
N-[(Z)-4-[4-[(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)methyl]pyridin-2-yl]oxybut-2-enyl]-2-(furan-2-ylmethylsulfinyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.35
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 78.57
Polar Surface Area: 104 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 344.6±3.0 cm3

Click to predict properties on the Chemicalize site


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