ChemSpider 2D Image | [(4-Methoxyphenyl){2-oxo-2-[(2-thienylmethyl)amino]ethyl}amino]acetic acid | C16H18N2O4S

[(4-Methoxyphenyl){2-oxo-2-[(2-thienylmethyl)amino]ethyl}amino]acetic acid

  • Molecular FormulaC16H18N2O4S
  • Average mass334.390 Da
  • Monoisotopic mass334.098724 Da
  • ChemSpider ID21800950

More details:

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

[(4-METHOXYPHENYL)({[(THIOPHEN-2-YLMETHYL)CARBAMOYL]METHYL})AMINO]ACETIC ACID
[(4-Methoxyphenyl){2-oxo-2-[(2-thienylmethyl)amino]ethyl}amino]acetic acid [ACD/IUPAC Name]
[(4-Methoxyphenyl){2-oxo-2-[(2-thienylmethyl)amino]ethyl}amino]essigsäure [German] [ACD/IUPAC Name]
1142204-54-3 [RN]
2-[(4-METHOXYPHENYL)({[(THIOPHEN-2-YL)METHYL]CARBAMOYL}METHYL)AMINO]ACETIC ACID
Acetic acid, 2-[(4-methoxyphenyl)[2-oxo-2-[(2-thienylmethyl)amino]ethyl]amino]- [ACD/Index Name]
Acide [(4-méthoxyphényl){2-oxo-2-[(2-thiénylméthyl)amino]éthyl}amino]acétique [French] [ACD/IUPAC Name]
((4-METHOXYPHENYL)(2-OXO-2-[(2-THIENYLMETHYL)-AMINO]ETHYL)AMINO)ACETIC ACID
((4-methoxyphenyl){2-oxo-2-[(2-thienylmethyl)amino]ethyl}amino)acetic acid
((4-Methoxyphenyl){2-oxo-2-[(2-thienylmethyl)-amino]ethyl}amino)acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 630.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.1±3.0 kJ/mol
    Flash Point: 335.3±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 89.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.62
    ACD/LogD (pH 7.4): -1.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 58.3±3.0 dyne/cm
    Molar Volume: 251.7±3.0 cm3

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