ChemSpider 2D Image | 2-Methyl-2-[(10H-phenothiazin-10-ylcarbonyl)amino]propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate | C27H29N3O5S

2-Methyl-2-[(10H-phenothiazin-10-ylcarbonyl)amino]propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID2968675

More details:

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

(1,3-Dioxooctahydro-2H-isoindol-2-yl)acétate de 2-méthyl-2-[(10H-phénothiazin-10-ylcarbonyl)amino]propyle [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, octahydro-1,3-dioxo-, 2-methyl-2-[(10H-phenothiazin-10-ylcarbonyl)amino]propyl ester [ACD/Index Name]
2-Methyl-2-[(10H-phenothiazin-10-ylcarbonyl)amino]propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate [ACD/IUPAC Name]
2-Methyl-2-[(10H-phenothiazin-10-ylcarbonyl)amino]propyl-(1,3-dioxooctahydro-2H-isoindol-2-yl)acetat [German] [ACD/IUPAC Name]
(1,3-Dioxo-octahydro-isoindol-2-yl)-acetic acid 2-methyl-2-[(phenothiazine-10-carbonyl)-amino]-propyl ester
[2-methyl-2-(phenothiazine-10-carbonylamino)propyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
2-methyl-2-(10H-phenothiazine-10-carboxamido)propyl 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)acetate
2-methyl-2-(phenothiazin-10-ylcarbonylamino)propyl 2-(1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)acetate
511513-88-5 [RN]
AC1MVTXT
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AJ-292/41685861 [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: 754.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.9±3.0 kJ/mol
    Flash Point: 409.9±32.9 °C
    Index of Refraction: 1.624
    Molar Refractivity: 135.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 4.36
    ACD/BCF (pH 5.5): 1214.84
    ACD/KOC (pH 5.5): 5616.91
    ACD/LogD (pH 7.4): 4.36
    ACD/BCF (pH 7.4): 1214.80
    ACD/KOC (pH 7.4): 5616.72
    Polar Surface Area: 121 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 56.8±3.0 dyne/cm
    Molar Volume: 383.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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