Found 35 results

Search term: MF = 'C_{18}H_{20}N_{2}O_{6}S_{3}'
ChemSpider 2D Image | 3-{[3-(4-Morpholinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl}-2-thiophenecarboxylic acid | C18H20N2O6S3

3-{[3-(4-Morpholinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC18H20N2O6S3
  • Average mass456.556 Da
  • Monoisotopic mass456.048340 Da
  • ChemSpider ID21746397

More details:

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

2-Thiophenecarboxylic acid, 3-[[[4,5,6,7-tetrahydro-3-(4-morpholinylcarbonyl)benzo[b]thien-2-yl]amino]sulfonyl]- [ACD/Index Name]
3-{[3-(4-Morpholinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-{[3-(4-Morpholinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-{[3-(4-morpholinylcarbonyl)-4,5,6,7-tétrahydro-1-benzothiophén-2-yl]sulfamoyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 743.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.3±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site


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