ChemSpider 2D Image | 2-[2-(4-Chloro-2-fluorobenzoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]-N-{2-[(5-isoquinolinylsulfonyl)amino]ethyl}acetamide | C29H26ClFN4O4S

2-[2-(4-Chloro-2-fluorobenzoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]-N-{2-[(5-isoquinolinylsulfonyl)amino]ethyl}acetamide

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID127395326

More details:

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

2-[2-(4-Chlor-2-fluorbenzoyl)-1,2,3,4-tetrahydro-7-isochinolinyl]-N-{2-[(5-isochinolinylsulfonyl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
2-[2-(4-Chloro-2-fluorobenzoyl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]-N-{2-[(5-isoquinoléinylsulfonyl)amino]éthyl}acétamide [French] [ACD/IUPAC Name]
2-[2-(4-Chloro-2-fluorobenzoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]-N-{2-[(5-isoquinolinylsulfonyl)amino]ethyl}acetamide [ACD/IUPAC Name]
7-Isoquinolineacetamide, 2-(4-chloro-2-fluorobenzoyl)-1,2,3,4-tetrahydro-N-[2-[(5-isoquinolinylsulfonyl)amino]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.08
ACD/KOC (pH 5.5): 552.98
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.99
ACD/KOC (pH 7.4): 563.48
Polar Surface Area: 117 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement