ChemSpider 2D Image | [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][1-({2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)-4-piperidinyl]methanone | C30H35N5O4S

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][1-({2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)-4-piperidinyl]methanone

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID21819019

More details:

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

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][1-({2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][1-({2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)-4-piperidinyl]methanone [ACD/IUPAC Name]
[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl][1-({2-[(3,4-diméthylphényl)amino]-1,3-thiazol-4-yl}carbonyl)-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl][1-[[2-[(3,4-dimethylphenyl)amino]-4-thiazolyl]carbonyl]-4-piperidinyl]- [ACD/Index Name]
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-({2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidin-4-yl]methanone
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[2-(3,4-dimethylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
[4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carbonyl)-piperidin-1-yl]-[2-(3,4-dimethyl-phenylamino)-thiazol-4-yl]-methanone
896085-34-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 751.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.5±3.0 kJ/mol
    Flash Point: 408.0±35.7 °C
    Index of Refraction: 1.659
    Molar Refractivity: 155.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 59.75
    ACD/KOC (pH 5.5): 500.02
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 147.76
    ACD/KOC (pH 7.4): 1236.63
    Polar Surface Area: 115 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 64.1±3.0 dyne/cm
    Molar Volume: 421.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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