ChemSpider 2D Image | (2-Furylmethyl)(2-oxo-2-{[(2Z)-4-{[4-(1-piperidinylmethyl)-2-pyridinyl]oxy}-2-buten-1-yl]amino}ethyl)sulfoniumolate | C22H29N3O4S

(2-Furylmethyl)(2-oxo-2-{[(2Z)-4-{[4-(1-piperidinylmethyl)-2-pyridinyl]oxy}-2-buten-1-yl]amino}ethyl)sulfoniumolate

  • Molecular FormulaC22H29N3O4S
  • Average mass431.548 Da
  • Monoisotopic mass431.187866 Da
  • ChemSpider ID34984561

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2-Furylmethyl)(2-oxo-2-{[(2Z)-4-{[4-(1-piperidinylmethyl)-2-pyridinyl]oxy}-2-buten-1-yl]amino}ethyl)sulfoniumolat [German] [ACD/IUPAC Name]
(2-Furylmethyl)(2-oxo-2-{[(2Z)-4-{[4-(1-piperidinylmethyl)-2-pyridinyl]oxy}-2-buten-1-yl]amino}ethyl)sulfoniumolate [ACD/IUPAC Name]
(2-Furylméthyl)(2-oxo-2-{[(2Z)-4-{[4-(1-pipéridinylméthyl)-2-pyridinyl]oxy}-2-butén-1-yl]amino}éthyl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, (2-furanylmethyl)hydroxy[2-oxo-2-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]amino]ethyl]-, inner salt [ACD/Index Name]
118288-08-7 [RN]
2-[(R)-(FURAN-2-YL)METHANESULFINYL]-N-[(2Z)-4-({4-[(PIPERIDIN-1-YL)METHYL]PYRIDIN-2-YL}OXY)BUT-2-EN-1-YL]ACETAMIDE
2-[(R)-FURAN-2-YLMETHANESULFINYL]-N-[(2Z)-4-{[4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL]OXY}BUT-2-EN-1-YL]ACETAMIDE
lafutidine [INN] [Wiki]
UNII-49S4O7ADLC

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 91 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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