ChemSpider 2D Image | 2-Methyl-2-propanyl [3-(4-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-1,4-diazepan-1-yl)-3-oxopropyl]carbamate | C27H43N3O5

2-Methyl-2-propanyl [3-(4-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-1,4-diazepan-1-yl)-3-oxopropyl]carbamate

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID34637993

More details:

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

[3-(4-{4-[4-(2-Méthyl-2-propanyl)phénoxy]butanoyl}-1,4-diazépan-1-yl)-3-oxopropyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [3-(4-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-1,4-diazepan-1-yl)-3-oxopropyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[3-(4-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-1,4-diazepan-1-yl)-3-oxopropyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[4-[4-[4-(1,1-dimethylethyl)phenoxy]-1-oxobutyl]hexahydro-1H-1,4-diazepin-1-yl]-3-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 798.71
ACD/KOC (pH 5.5): 4160.36
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 798.70
ACD/KOC (pH 7.4): 4160.32
Polar Surface Area: 88 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 448.3±3.0 cm3

Click to predict properties on the Chemicalize site


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