ChemSpider 2D Image | (2S)-N-[(3S)-1-(2-Amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide | C18H15ClN4O3S

(2S)-N-[(3S)-1-(2-Amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide

  • Molecular FormulaC18H15ClN4O3S
  • Average mass402.855 Da
  • Monoisotopic mass402.055328 Da
  • ChemSpider ID26330354

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-[(3S)-1-(2-Amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydro-3-chinolinyl]-2-chlor-2H-thieno[2,3-b]pyrrol-5-carboxamid [German] [ACD/IUPAC Name]
(2S)-N-[(3S)-1-(2-Amino-2-oxoéthyl)-2-oxo-1,2,3,4-tétrahydro-3-quinoléinyl]-2-chloro-2H-thiéno[2,3-b]pyrrole-5-carboxamide [French] [ACD/IUPAC Name]
(2S)-N-[(3S)-1-(2-Amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide [ACD/IUPAC Name]
(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
1(2H)-Quinolineacetamide, 3-[[[(2S)-2-chloro-2H-thieno[2,3-b]pyrrol-5-yl]carbonyl]amino]-3,4-dihydro-2-oxo-, (3S)- [ACD/Index Name]
(2S)-N-[(3S)-1-(carbamoylmethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide
(2S)-N-[(3S)-1-(carbamoylmethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 884.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 488.7±34.3 °C
Index of Refraction: 1.793
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.09
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.09
Polar Surface Area: 130 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 240.9±7.0 cm3

Click to predict properties on the Chemicalize site


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