ChemSpider 2D Image | (2S)-2-(Dimethylamino)-N-(1-oxo-1,2-dihydro-6-isoquinolinyl)-2-(3-thienyl)acetamide | C17H17N3O2S

(2S)-2-(Dimethylamino)-N-(1-oxo-1,2-dihydro-6-isoquinolinyl)-2-(3-thienyl)acetamide

  • Molecular FormulaC17H17N3O2S
  • Average mass327.401 Da
  • Monoisotopic mass327.104156 Da
  • ChemSpider ID34992298
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(Dimethylamino)-N-(1-oxo-1,2-dihydro-6-isochinolinyl)-2-(3-thienyl)acetamid [German] [ACD/IUPAC Name]
(2S)-2-(Diméthylamino)-N-(1-oxo-1,2-dihydro-6-isoquinoléinyl)-2-(3-thiényl)acétamide [French] [ACD/IUPAC Name]
(2S)-2-(Dimethylamino)-N-(1-oxo-1,2-dihydro-6-isoquinolinyl)-2-(3-thienyl)acetamide [ACD/IUPAC Name]
3-Thiopheneacetamide, N-(1,2-dihydro-1-oxo-6-isoquinolinyl)-α-(dimethylamino)-, (αS)- [ACD/Index Name]
1414854-42-4 [RN]
UNII-MAF34143WM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 90 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site






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