ChemSpider 2D Image | 2-{[(6-Oxo-1,6-dihydro-4-pyrimidinyl)methyl]sulfamoyl}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid | C13H14N4O5S2

2-{[(6-Oxo-1,6-dihydro-4-pyrimidinyl)methyl]sulfamoyl}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

  • Molecular FormulaC13H14N4O5S2
  • Average mass370.404 Da
  • Monoisotopic mass370.040558 Da
  • ChemSpider ID29572991

More details:

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

2-{[(6-Oxo-1,6-dihydro-4-pyrimidinyl)methyl]sulfamoyl}-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
2-{[(6-Oxo-1,6-dihydro-4-pyrimidinyl)methyl]sulfamoyl}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid [ACD/IUPAC Name]
Acide 2-{[(6-oxo-1,6-dihydro-4-pyrimidinyl)méthyl]sulfamoyl}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(6-hydroxy-4-pyrimidinyl)methyl]amino]sulfonyl]- [ACD/Index Name]
2-({[(6-hydroxypyrimidin-4-yl)methyl]amino}sulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.665
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 81.5±3.0 dyne/cm
Molar Volume: 230.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement