ChemSpider 2D Image | 2-(3,4-Dihydro-2(1H)-isoquinolinyl)-5-{[4-(2-methyl-2-propanyl)benzoyl]amino}-N-(2-phenylethyl)benzamide | C35H37N3O2

2-(3,4-Dihydro-2(1H)-isoquinolinyl)-5-{[4-(2-methyl-2-propanyl)benzoyl]amino}-N-(2-phenylethyl)benzamide

  • Molecular FormulaC35H37N3O2
  • Average mass531.687 Da
  • Monoisotopic mass531.288574 Da
  • ChemSpider ID3833648

More details:

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

2-(3,4-Dihydro-2(1H)-isochinolinyl)-5-{[4-(2-methyl-2-propanyl)benzoyl]amino}-N-(2-phenylethyl)benzamid [German] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinoléinyl)-5-{[4-(2-méthyl-2-propanyl)benzoyl]amino}-N-(2-phényléthyl)benzamide [French] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinolinyl)-5-{[4-(2-methyl-2-propanyl)benzoyl]amino}-N-(2-phenylethyl)benzamide [ACD/IUPAC Name]
Benzamide, 2-(3,4-dihydro-2(1H)-isoquinolinyl)-5-[[4-(1,1-dimethylethyl)benzoyl]amino]-N-(2-phenylethyl)- [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: 664.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.8±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 162.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80652.38
ACD/KOC (pH 5.5): 112554.16
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82199.16
ACD/KOC (pH 7.4): 114712.78
Polar Surface Area: 61 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 454.6±3.0 cm3

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