ChemSpider 2D Image | 2-[3-(Butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl propionate | C27H29ClN4O5S

2-[3-(Butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl propionate

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID4924261

More details:

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

1-Propanone, 1-[3-(butylthio)-6-[5-chloro-3-methoxy-2-(1-oxopropoxy)phenyl]-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]- [ACD/Index Name]
2-[3-(Butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlor-6-methoxyphenylpropionat [German] [ACD/IUPAC Name]
2-[3-(Butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl propionate [ACD/IUPAC Name]
Propionate de 2-[3-(butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazépin-6-yl]-4-chloro-6-méthoxyphényle [French] [ACD/IUPAC Name]
[2-(3-butylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-chloro-6-methoxyphenyl] propanoate
[2-[(6R)-3-butylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl] propanoate
2-(3-(butylthio)-7-propionyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-4-chloro-6-methoxyphenyl propionate
2-[3-(butylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl propanoate
491581-89-6 [RN]
AC1O4VIQ
More...

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

AN-655/41148712 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 749.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±3.0 kJ/mol
    Flash Point: 407.1±35.7 °C
    Index of Refraction: 1.635
    Molar Refractivity: 145.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.06
    ACD/LogD (pH 5.5): 5.82
    ACD/BCF (pH 5.5): 15748.27
    ACD/KOC (pH 5.5): 35152.84
    ACD/LogD (pH 7.4): 5.82
    ACD/BCF (pH 7.4): 15749.01
    ACD/KOC (pH 7.4): 35154.50
    Polar Surface Area: 129 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 405.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement