ChemSpider 2D Image | 4-[7-Butyryl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl butyrate | C27H30N4O5S

4-[7-Butyryl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl butyrate

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID4922459

More details:

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

4-[7-Butyryl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl butyrate [ACD/IUPAC Name]
4-[7-Butyryl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 4-[6,7-dihydro-3-(methylthio)-7-(1-oxobutyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl ester [ACD/Index Name]
Butyrate de 4-[7-butyryl-3-(méthylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazépin-6-yl]-2-éthoxyphényle [French] [ACD/IUPAC Name]
4-(7-butyryl-3-(methylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-2-ethoxyphenyl butyrate
4-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl butanoate
486994-87-0 [RN]
Butyric acid 4-(7-butyryl-3-methylsulfanyl-6,7-dihydro-5-oxa-1,2,4,7-tetraaza-dibenzo[a,c]cyclohepten-6-yl)-2-ethoxy-phenyl ester
ZXUBHPAITASVPT-UHFFFAOYSA-N

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

AN-655/40687889 [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: 744.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.6±3.0 kJ/mol
    Flash Point: 404.1±35.7 °C
    Index of Refraction: 1.630
    Molar Refractivity: 140.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.38
    ACD/LogD (pH 5.5): 4.93
    ACD/BCF (pH 5.5): 3257.30
    ACD/KOC (pH 5.5): 11378.30
    ACD/LogD (pH 7.4): 4.93
    ACD/BCF (pH 7.4): 3257.82
    ACD/KOC (pH 7.4): 11380.13
    Polar Surface Area: 129 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 66.9±5.0 dyne/cm
    Molar Volume: 394.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement