ChemSpider 2D Image | Methyl 2-({[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate | C17H21N5O2S

Methyl 2-({[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate

  • Molecular FormulaC17H21N5O2S
  • Average mass359.446 Da
  • Monoisotopic mass359.141602 Da
  • ChemSpider ID22752646

More details:

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

2-({[4-Amino-6-(1-pipéridinyl)-1,3,5-triazin-2-yl]méthyl}sulfanyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-, methyl ester [ACD/Index Name]
Methyl 2-({[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate [ACD/IUPAC Name]
Methyl-2-({[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoat [German] [ACD/IUPAC Name]
1020245-74-2 [RN]
2-(4-Amino-6-piperidin-1-yl-[1,3,5]triazin-2-ylmethylsulfanyl)-benzoic acid methyl ester
AGN-PC-0NM7ET
AKOS005536102
AO-080/43442002
MCULE-2676509763
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 588.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 87.9±3.0 kJ/mol
    Flash Point: 309.9±32.9 °C
    Index of Refraction: 1.650
    Molar Refractivity: 97.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 2.15
    ACD/BCF (pH 5.5): 22.52
    ACD/KOC (pH 5.5): 282.94
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 35.77
    ACD/KOC (pH 7.4): 449.50
    Polar Surface Area: 120 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 74.8±5.0 dyne/cm
    Molar Volume: 266.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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