ChemSpider 2D Image | (1S)-1-(3-Chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro-5-isoquinolinyl)amino]ethyl acetate | C19H13ClN2O6

(1S)-1-(3-Chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro-5-isoquinolinyl)amino]ethyl acetate

  • Molecular FormulaC19H13ClN2O6
  • Average mass400.769 Da
  • Monoisotopic mass400.046204 Da
  • ChemSpider ID25058807

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(3-Chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro-5-isoquinolinyl)amino]ethyl acetate [ACD/IUPAC Name]
(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
(1S)-1-(3-Chlorphenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro-5-isochinolinyl)amino]ethyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S)-1-(3-chlorophényl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tétrahydro-5-isoquinoléinyl)amino]éthyle [French] [ACD/IUPAC Name]
Benzeneacetamide, α-(acetyloxy)-3-chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxo-5-isoquinolinyl)-, (αS)- [ACD/Index Name]
(S)-(3-chlorophenyl)[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
(S)-(3-chlorophenyl)[(1,3,4-trioxo-2H-isoquinolin-5-yl)carbamoyl]methyl acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.24
ACD/KOC (pH 5.5): 266.76
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 12.76
ACD/KOC (pH 7.4): 197.50
Polar Surface Area: 119 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site


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