ChemSpider 2D Image | 5-[(4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(6-quinolinyl)pentanamide | C19H22N4O2S

5-[(4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(6-quinolinyl)pentanamide

  • Molecular FormulaC19H22N4O2S
  • Average mass370.469 Da
  • Monoisotopic mass370.146332 Da
  • ChemSpider ID34978261

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-6-quinolinyl-, (4S)- [ACD/Index Name]
5-[(4S)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]-N-(6-quinoléinyl)pentanamide [French] [ACD/IUPAC Name]
5-[(4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(6-quinolinyl)pentanamide [ACD/IUPAC Name]
N-(6-Chinolinyl)-5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
91853-89-3 [RN]
BAQ
biotinyl-6-aminoQUINOLINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.3±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 49.75
ACD/KOC (pH 5.5): 545.42
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 58.12
ACD/KOC (pH 7.4): 637.13
Polar Surface Area: 108 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 286.4±3.0 cm3

Click to predict properties on the Chemicalize site


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