ChemSpider 2D Image | 4-[7-Acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate | C26H28N4O5S

4-[7-Acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate

  • Molecular FormulaC26H28N4O5S
  • Average mass508.589 Da
  • Monoisotopic mass508.178040 Da
  • ChemSpider ID4922746

More details:

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

4-[7-Acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate [ACD/IUPAC Name]
4-[7-Acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[7-acétyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazépin-6-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
Ethanone, 1-[6-[4-(acetyloxy)-3-methoxyphenyl]-3-(pentylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]- [ACD/Index Name]
354785-58-3 [RN]
4-(7-acetyl-3-(pentylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-2-methoxyphenyl acetate
FYYBEGJXEHECMK-UHFFFAOYSA-N

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

AN-655/14766097 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 737.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±3.0 kJ/mol
    Flash Point: 399.9±35.7 °C
    Index of Refraction: 1.636
    Molar Refractivity: 135.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 4.75
    ACD/BCF (pH 5.5): 2387.32
    ACD/KOC (pH 5.5): 9109.57
    ACD/LogD (pH 7.4): 4.75
    ACD/BCF (pH 7.4): 2387.47
    ACD/KOC (pH 7.4): 9110.10
    Polar Surface Area: 129 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 378.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement