ChemSpider 2D Image | 5-{[(3-Cyanophenyl)carbamoyl]amino}-2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2-phenylethyl)benzamide | C32H29N5O2

5-{[(3-Cyanophenyl)carbamoyl]amino}-2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2-phenylethyl)benzamide

  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID29217602

More details:

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

5-{[(3-Cyanophényl)carbamoyl]amino}-2-(3,4-dihydro-2(1H)-isoquinoléinyl)-N-(2-phényléthyl)benzamide [French] [ACD/IUPAC Name]
5-{[(3-Cyanophenyl)carbamoyl]amino}-2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2-phenylethyl)benzamide [ACD/IUPAC Name]
5-{[(3-Cyanphenyl)carbamoyl]amino}-2-(3,4-dihydro-2(1H)-isochinolinyl)-N-(2-phenylethyl)benzamid [German] [ACD/IUPAC Name]
Benzamide, 5-[[[(3-cyanophenyl)amino]carbonyl]amino]-2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2-phenylethyl)- [ACD/Index 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: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 3773.86
ACD/KOC (pH 5.5): 11328.71
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5520.12
ACD/KOC (pH 7.4): 16570.79
Polar Surface Area: 97 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

Click to predict properties on the Chemicalize site


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