ChemSpider 2D Image | 7-(Butyrylamino)-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | C23H25ClFN3O3

7-(Butyrylamino)-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC23H25ClFN3O3
  • Average mass445.914 Da
  • Monoisotopic mass445.156860 Da
  • ChemSpider ID29130559

More details:

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

3-Isoquinolinecarboxamide, 2-(3-chloro-4-fluorobenzoyl)-1,2,3,4-tetrahydro-N,N-dimethyl-7-[(1-oxobutyl)amino]- [ACD/Index Name]
7-(Butyrylamino)-2-(3-chlor-4-fluorbenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
7-(Butyrylamino)-2-(3-chloro-4-fluorobenzoyl)-N,N-diméthyl-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
7-(Butyrylamino)-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC 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: 684.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.94
ACD/KOC (pH 5.5): 912.73
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.95
ACD/KOC (pH 7.4): 912.75
Polar Surface Area: 70 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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