ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[3-({5-[(adamantan-1-ylcarbamoyl)amino]-8-quinolinyl}oxy)propyl]-1-piperazinecarboxylate | C32H45N5O4

2-Methyl-2-propanyl 4-[3-({5-[(adamantan-1-ylcarbamoyl)amino]-8-quinolinyl}oxy)propyl]-1-piperazinecarboxylate

  • Molecular FormulaC32H45N5O4
  • Average mass563.731 Da
  • Monoisotopic mass563.347168 Da
  • ChemSpider ID34227084

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[[5-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]-8-quinolinyl]oxy]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-({5-[(adamantan-1-ylcarbamoyl)amino]-8-quinolinyl}oxy)propyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-({5-[(adamantan-1-ylcarbamoyl)amino]-8-chinolinyl}oxy)propyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[3-({5-[(Adamantan-1-ylcarbamoyl)amino]-8-quinoléinyl}oxy)propyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [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: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 137.81
ACD/KOC (pH 5.5): 587.95
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1419.82
ACD/KOC (pH 7.4): 6057.61
Polar Surface Area: 96 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 450.6±5.0 cm3

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