ChemSpider 2D Image | Ethyl 4-[(Z)-{6-[(4-ethoxyphenyl)carbamoyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene}amino]benzoate | C31H33N3O6S

Ethyl 4-[(Z)-{6-[(4-ethoxyphenyl)carbamoyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene}amino]benzoate

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID3763638

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-{6-[(4-Éthoxyphényl)carbamoyl]-3-[2-(4-méthoxyphényl)éthyl]-4-oxo-1,3-thiazinan-2-ylidène}amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z)-6-[[(4-ethoxyphenyl)amino]carbonyl]tetrahydro-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(Z)-{6-[(4-ethoxyphenyl)carbamoyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene}amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(Z)-{6-[(4-ethoxyphenyl)carbamoyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-yliden}amino]benzoat [German] [ACD/IUPAC Name]
(Z)-ethyl 4-((6-((4-ethoxyphenyl)carbamoyl)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate
4-{6-(4-Ethoxy-phenylcarbamoyl)-3-[2-(4-methoxy-phenyl)-ethyl]-4-oxo-[1,3]thiazinan-2-ylideneamino}-benzoic acid ethyl ester
ethyl 4-({(2Z)-6-[(4-ethoxyphenyl)carbamoyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
ETHYL 4-[[6-[(4-ETHOXYPHENYL)CARBAMOYL]-3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO]BENZOATE

    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: 1.609
    Molar Refractivity: 159.3±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.37
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 3366.42
    ACD/KOC (pH 5.5): 11650.24
    ACD/LogD (pH 7.4): 4.94
    ACD/BCF (pH 7.4): 3366.53
    ACD/KOC (pH 7.4): 11650.63
    Polar Surface Area: 132 Å2
    Polarizability: 63.1±0.5 10-24cm3
    Surface Tension: 47.4±7.0 dyne/cm
    Molar Volume: 460.1±7.0 cm3

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