ChemSpider 2D Image | 2-Methyl-2-propanyl 6-(cyclohexyloxy)-1-{[2-(diisopropylamino)ethyl]carbamoyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate | C29H47N3O4

2-Methyl-2-propanyl 6-(cyclohexyloxy)-1-{[2-(diisopropylamino)ethyl]carbamoyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID8404355

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 1-[[[2-[bis(1-methylethyl)amino]ethyl]amino]carbonyl]-6-(cyclohexyloxy)-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-(cyclohexyloxy)-1-{[2-(diisopropylamino)ethyl]carbamoyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-(cyclohexyloxy)-1-{[2-(diisopropylamino)ethyl]carbamoyl}-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
6-(Cyclohexyloxy)-1-{[2-(diisopropylamino)éthyl]carbamoyl}-3,4-dihydro-2(1H)-isoquinoléinecarboxylate 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: 1.1±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 143.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 16.30
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 35.69
ACD/KOC (pH 7.4): 101.39
Polar Surface Area: 71 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 464.6±3.0 cm3

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