ChemSpider 2D Image | 2-({[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl}amino)-3-[3-(methylsulfonyl)phenyl]propanoate | C29H23Cl2N2O7S

2-({[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl}amino)-3-[3-(methylsulfonyl)phenyl]propanoate

  • Molecular FormulaC29H23Cl2N2O7S
  • Average mass614.474 Da
  • Monoisotopic mass613.060852 Da
  • ChemSpider ID95616732

  • Charge - Charge

More details:

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

2-({[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichlor-1,2,3,4-tetrahydro-6-isochinolinyl]carbonyl}amino)-3-[3-(methylsulfonyl)phenyl]propanoat [German] [ACD/IUPAC Name]
2-({[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tétrahydro-6-isoquinoléinyl]carbonyl}amino)-3-[3-(méthylsulfonyl)phényl]propanoate [French] [ACD/IUPAC Name]
2-({[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl}amino)-3-[3-(methylsulfonyl)phenyl]propanoate [ACD/IUPAC Name]
Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 811.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.59
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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