ChemSpider 2D Image | 5-Oxo-2,3,4,5-tetrahydro-1H-thieno[3,2-e][1,4]diazepine-8-carboxylic acid | C8H8N2O3S

5-Oxo-2,3,4,5-tetrahydro-1H-thieno[3,2-e][1,4]diazepine-8-carboxylic acid

  • Molecular FormulaC8H8N2O3S
  • Average mass212.226 Da
  • Monoisotopic mass212.025558 Da
  • ChemSpider ID24808348

More details:

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

1H-Thieno[3,2-e]-1,4-diazepine-8-carboxylic acid, 2,3,4,5-tetrahydro-5-oxo- [ACD/Index Name]
5-Oxo-2,3,4,5-tetrahydro-1H-thieno[3,2-e][1,4]diazepin-8-carbonsäure [German] [ACD/IUPAC Name]
5-Oxo-2,3,4,5-tetrahydro-1H-thieno[3,2-e][1,4]diazepine-8-carboxylic acid [ACD/IUPAC Name]
Acide 5-oxo-2,3,4,5-tétrahydro-1H-thiéno[3,2-e][1,4]diazépine-8-carboxylique [French] [ACD/IUPAC Name]
Kinome_3582

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.89
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 144.6±3.0 cm3

Click to predict properties on the Chemicalize site


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