ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-ylmethyl)-3-[3-({[(1,3-benzodioxol-5-ylmethyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea | C28H36N4O6

1-(1,3-Benzodioxol-5-ylmethyl)-3-[3-({[(1,3-benzodioxol-5-ylmethyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea

  • Molecular FormulaC28H36N4O6
  • Average mass524.609 Da
  • Monoisotopic mass524.263489 Da
  • ChemSpider ID2400610

More details:

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

1-(1,3-Benzodioxol-5-ylmethyl)-3-[3-({[(1,3-benzodioxol-5-ylmethyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]harnstoff [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylmethyl)-3-[3-({[(1,3-benzodioxol-5-ylmethyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylméthyl)-3-[3-({[(1,3-benzodioxol-5-ylméthyl)carbamoyl]amino}méthyl)-3,5,5-triméthylcyclohexyl]urée [French] [ACD/IUPAC Name]
Urea, N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-[[[[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]- [ACD/Index Name]
1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(1,3-benzodioxol-5-ylmethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}amino)methyl]-3,5,5-trimethylcyclohexyl}urea
341930-64-1 [RN]
MFCD01418180
N-(1,3-benzodioxol-5-ylmethyl)-N'-{3-[({[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}amino)methyl]-3,5,5-trimethylcyclohexyl}urea
N-[5-({[(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)amino]carbonylamino}methyl)-3,3,5-trimethylcyclohexyl][(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]carboxamide

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

BAS 03710599 [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: 769.8±49.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.1±3.0 kJ/mol
    Flash Point: 419.3±29.8 °C
    Index of Refraction: 1.621
    Molar Refractivity: 141.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 4.25
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 355.00
    ACD/KOC (pH 5.5): 2328.41
    ACD/LogD (pH 7.4): 3.66
    ACD/BCF (pH 7.4): 355.00
    ACD/KOC (pH 7.4): 2328.38
    Polar Surface Area: 119 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 401.3±5.0 cm3

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