ChemSpider 2D Image | (2E)-4-Oxo-4-{[2-(1-piperidinylsulfonyl)ethyl](4-pyridinylmethyl)amino}-2-butenoic acid | C17H23N3O5S

(2E)-4-Oxo-4-{[2-(1-piperidinylsulfonyl)ethyl](4-pyridinylmethyl)amino}-2-butenoic acid

  • Molecular FormulaC17H23N3O5S
  • Average mass381.447 Da
  • Monoisotopic mass381.135834 Da
  • ChemSpider ID22882397

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{[2-(PIPERIDINE-1-SULFONYL)ETHYL][(PYRIDIN-4-YL)METHYL]CARBAMOYL}PROP-2-ENOIC ACID
(2E)-4-Oxo-4-{[2-(1-piperidinylsulfonyl)ethyl](4-pyridinylmethyl)amino}-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-Oxo-4-{[2-(1-piperidinylsulfonyl)ethyl](4-pyridinylmethyl)amino}-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-oxo-4-[[2-(1-piperidinylsulfonyl)ethyl](4-pyridinylmethyl)amino]-, (2E)- [ACD/Index Name]
929863-40-1 [RN]
Acide (2E)-4-oxo-4-{[2-(1-pipéridinylsulfonyl)éthyl](4-pyridinylméthyl)amino}-2-buténoïque [French] [ACD/IUPAC Name]
(2E)-3-{[2-(PIPERIDINE-1-SULFONYL)ETHYL](PYRIDIN-4-YLMETHYL)CARBAMOYL}PROP-2-ENOIC ACID
(2E)-4-oxo-4-[[2-(piperidin-1-ylsulfonyl)ethyl](pyridin-4-ylmethyl)amino]but-2-enoic acid
(2E)-4-Oxo-4-[[2-(piperidin-1-ylsulfonyl)ethyl]-(pyridin-4-ylmethyl)amino]but-2-enoic acid
(2E)-4-oxo-4-{[2-(piperidin-1-ylsulfonyl)ethyl](pyridin-4-ylmethyl)amino}but-2-enoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 664.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.7±3.0 kJ/mol
    Flash Point: 355.7±34.3 °C
    Index of Refraction: 1.611
    Molar Refractivity: 96.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): -1.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 277.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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