ChemSpider 2D Image | 4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-(2-methyl-2-propanyl)-1,4-diazepane-1-carboxamide | C30H39N5O5

4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-(2-methyl-2-propanyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC30H39N5O5
  • Average mass549.661 Da
  • Monoisotopic mass549.295105 Da
  • ChemSpider ID29268341

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-[4-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl]-N-(1,1-dimethylethyl)hexahydro- [ACD/Index Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-(2-methyl-2-propanyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-(2-methyl-2-propanyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-pipéridinylcarbonyl)phényl}-N-(2-méthyl-2-propanyl)-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 41.49
ACD/KOC (pH 5.5): 477.71
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.92
ACD/KOC (pH 7.4): 563.23
Polar Surface Area: 103 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 435.3±3.0 cm3

Click to predict properties on the Chemicalize site


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