ChemSpider 2D Image | pipotiazine palmitate | C40H63N3O4S2

pipotiazine palmitate

  • Molecular FormulaC40H63N3O4S2
  • Average mass714.076 Da
  • Monoisotopic mass713.426025 Da
  • ChemSpider ID34634

More details:

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

10-[3-[4-(2-Hydroxyethyl)-1-piperidinyl]propyl]-N,N-dimethyl-10H-phenothiazine-2-sulfonamide Palmitate (Ester)
2-(1-{3-[2-(Dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}-4-piperidinyl)ethyl palmitate [ACD/IUPAC Name]
2-(1-{3-[2-(Dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}-4-piperidinyl)ethylpalmitat [German] [ACD/IUPAC Name]
2-(1-{3-[2-(Dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}piperidin-4-yl)ethyl palmitate
2-[1-[3-[2-[(Dimethylamino)sulfonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]ethanol Palmitate
253-536-4 [EINECS]
37517-26-3 [RN]
4Q3H01QRMI
Hexadecanoic Acid 2-[1-[3-[2-[(dimethylamino)sulfonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]ethyl Ester
Hexadecanoic acid, 2-[1-[3-[2-[(dimethylamino)sulfonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]ethyl ester [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D02680 [DBID]
IL 19552 [DBID]
RP 19552 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 773.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.6±3.0 kJ/mol
    Flash Point: 421.5±35.7 °C
    Index of Refraction: 1.546
    Molar Refractivity: 207.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 24
    #Rule of 5 Violations: 2
    ACD/LogP: 12.45
    ACD/LogD (pH 5.5): 8.98
    ACD/BCF (pH 5.5): 755463.38
    ACD/KOC (pH 5.5): 79738.06
    ACD/LogD (pH 7.4): 10.26
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1538442.75
    Polar Surface Area: 104 Å2
    Polarizability: 82.2±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 654.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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