ChemSpider 2D Image | 2-Methyl-2-propanyl {4-[({1-methyl-4-[(1-pyrenylcarbonyl)amino]-1H-imidazol-2-yl}carbonyl)amino]butyl}carbamate | C31H33N5O4

2-Methyl-2-propanyl {4-[({1-methyl-4-[(1-pyrenylcarbonyl)amino]-1H-imidazol-2-yl}carbonyl)amino]butyl}carbamate

  • Molecular FormulaC31H33N5O4
  • Average mass539.625 Da
  • Monoisotopic mass539.253235 Da
  • ChemSpider ID26993302

More details:

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

{4-[({1-Méthyl-4-[(1-pyrénylcarbonyl)amino]-1H-imidazol-2-yl}carbonyl)amino]butyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {4-[({1-methyl-4-[(1-pyrenylcarbonyl)amino]-1H-imidazol-2-yl}carbonyl)amino]butyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{4-[({1-methyl-4-[(1-pyrenylcarbonyl)amino]-1H-imidazol-2-yl}carbonyl)amino]butyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[[1-methyl-4-[(1-pyrenylcarbonyl)amino]-1H-imidazol-2-yl]carbonyl]amino]butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-(1-methyl-4-(pyrene-1-carboxamido)-1H-imidazole-2-carboxamido)-butylcarbamate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1490.51
ACD/KOC (pH 5.5): 6454.34
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1529.37
ACD/KOC (pH 7.4): 6622.61
Polar Surface Area: 114 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 418.1±7.0 cm3

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