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Search term: MF = 'C_{21}H_{26}N_{2}O_{4}S'
ChemSpider 2D Image | Ethyl 2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoate | C21H26N2O4S

Ethyl 2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoate

  • Molecular FormulaC21H26N2O4S
  • Average mass402.507 Da
  • Monoisotopic mass402.161316 Da
  • ChemSpider ID22568560

More details:

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

2-(Carbamoylsulfanyl)-3-{4-[2-(5-éthyl-2-pyridinyl)éthoxy]phényl}propanoate d'éthyle [French] [ACD/IUPAC Name]
868754-41-0 [RN]
Benzenepropanoic acid, α-[(aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]-, ethyl ester [ACD/Index Name]
ETHYL (2RS)-2-(CARBAMOYLSULFANYL)-3-(4-(2-(5-ETHYLPYRIDIN-2-YL)ETHOXY)PHENYL)PROPANOATE
Ethyl 2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoate [ACD/IUPAC Name]
Ethyl-2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoat [German] [ACD/IUPAC Name]
?-[(Aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzenepropanoic Acid Ethyl Ester
111-49-9 [RN]
A-[(AMINOCARBONYL)THIO]-4-[2-(5-ETHYL-2-PYRIDINYL)ETHOXY]BENZENEPROPANOIC ACID ETHYL ESTER
ethyl 2-(carbamoylsulfanyl)-3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}propanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6N6H6PIN5L [DBID]
UNII:6N6H6PIN5L [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 582.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.1±3.0 kJ/mol
    Flash Point: 306.0±32.9 °C
    Index of Refraction: 1.579
    Molar Refractivity: 111.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 4.06
    ACD/LogD (pH 5.5): 3.25
    ACD/BCF (pH 5.5): 145.37
    ACD/KOC (pH 5.5): 1000.12
    ACD/LogD (pH 7.4): 3.56
    ACD/BCF (pH 7.4): 296.11
    ACD/KOC (pH 7.4): 2037.17
    Polar Surface Area: 117 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 334.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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