ChemSpider 2D Image | 2-Cyclopentyl-1-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C29H40N4O2S

2-Cyclopentyl-1-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID20344360

More details:

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

2-Cyclopentyl-1-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
2-Cyclopentyl-1-oxo-N-[3-(4-propyl-1-pipérazinyl)propyl]-3-(2-thiényl)-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2-Cyclopentyl-1-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 2-cyclopentyl-1,2,3,4-tetrahydro-1-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-3-(2-thienyl)- [ACD/Index 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: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 32.34
ACD/KOC (pH 7.4): 269.24
Polar Surface Area: 84 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 431.6±3.0 cm3

Click to predict properties on the Chemicalize site


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