ChemSpider 2D Image | 2-Chloro-N-{(3S)-1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl}-6H-thieno[2,3-b]pyrrole-5-carboxamide | C19H18ClN3O4S

2-Chloro-N-{(3S)-1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl}-6H-thieno[2,3-b]pyrrole-5-carboxamide

  • Molecular FormulaC19H18ClN3O4S
  • Average mass419.882 Da
  • Monoisotopic mass419.070648 Da
  • ChemSpider ID23292452

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Chlor-N-{(3S)-1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydro-3-chinolinyl}-6H-thieno[2,3-b]pyrrol-5-carboxamid [German] [ACD/IUPAC Name]
2-Chloro-N-{(3S)-1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tétrahydro-3-quinoléinyl}-6H-thiéno[2,3-b]pyrrole-5-carboxamide [French] [ACD/IUPAC Name]
2-Chloro-N-{(3S)-1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl}-6H-thieno[2,3-b]pyrrole-5-carboxamide [ACD/IUPAC Name]
2-chloro-N-{(3S)-1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
6H-Thieno[2,3-b]pyrrole-5-carboxamide, 2-chloro-N-[(3S)-1-[(2R)-2,3-dihydroxypropyl]-1,2,3,4-tetrahydro-2-oxo-3-quinolinyl]- [ACD/Index Name]
2-chloro-N-((S)-1-((R)-2,3-dihydroxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 885.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 489.6±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.06
ACD/KOC (pH 5.5): 462.04
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.06
ACD/KOC (pH 7.4): 462.04
Polar Surface Area: 134 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 263.4±5.0 cm3

Click to predict properties on the Chemicalize site


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