ChemSpider 2D Image | 2-Methyl-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-isoquinolinecarboxamide | C28H38N4O

2-Methyl-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-isoquinolinecarboxamide

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID29418385

More details:






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

2-Methyl-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-isochinolincarboxamid [German] [ACD/IUPAC Name]
2-Méthyl-N-{[1-(4-phényl-1-pipérazinyl)cyclohexyl]méthyl}-1,2,3,4-tétrahydro-5-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2-Methyl-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-isoquinolinecarboxamide [ACD/IUPAC Name]
5-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-2-methyl-N-[[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl]- [ACD/Index Name]
1428327-35-8 [RN]
JNJ-42253432

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.3±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 211.18
ACD/KOC (pH 7.4): 984.91
Polar Surface Area: 39 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 395.0±3.0 cm3

Click to predict properties on the Chemicalize site






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