ChemSpider 2D Image | (1S)-2-Oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro-5-isoquinolinyl)amino]ethyl acetate | C19H14N2O6

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

  • Molecular FormulaC19H14N2O6
  • Average mass366.324 Da
  • Monoisotopic mass366.085175 Da
  • ChemSpider ID25058806
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.95
ACD/KOC (pH 5.5): 124.53
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 92.54
Polar Surface Area: 119 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 252.8±3.0 cm3

Click to predict properties on the Chemicalize site






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