ChemSpider 2D Image | N-Allyl-N-cyclopentyl-2-{[(2-isobutyryl-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy]methyl}-1,3-thiazole-4-carboxamide | C32H37N3O3S

N-Allyl-N-cyclopentyl-2-{[(2-isobutyryl-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy]methyl}-1,3-thiazole-4-carboxamide

  • Molecular FormulaC32H37N3O3S
  • Average mass543.719 Da
  • Monoisotopic mass543.255554 Da
  • ChemSpider ID29257381

More details:

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

4-Thiazolecarboxamide, N-cyclopentyl-N-2-propen-1-yl-2-[[[1,2,3,4-tetrahydro-2-(2-methyl-1-oxopropyl)-1-phenyl-7-isoquinolinyl]oxy]methyl]- [ACD/Index Name]
N-Allyl-N-cyclopentyl-2-{[(2-isobutyryl-1-phenyl-1,2,3,4-tetrahydro-7-isochinolinyl)oxy]methyl}-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Allyl-N-cyclopentyl-2-{[(2-isobutyryl-1-phényl-1,2,3,4-tétrahydro-7-isoquinoléinyl)oxy]méthyl}-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
N-Allyl-N-cyclopentyl-2-{[(2-isobutyryl-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy]methyl}-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7786.87
ACD/KOC (pH 5.5): 21233.80
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7786.92
ACD/KOC (pH 7.4): 21233.94
Polar Surface Area: 91 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 438.8±5.0 cm3

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