ChemSpider 2D Image | 5-({2-[5-(5-Bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-3-thienyl}sulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | C18H13BrN4O3S3

5-({2-[5-(5-Bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-3-thienyl}sulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

  • Molecular FormulaC18H13BrN4O3S3
  • Average mass509.420 Da
  • Monoisotopic mass507.933319 Da
  • ChemSpider ID30657076

More details:

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

5-({2-[5-(5-Brom-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-3-thienyl}sulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin [German] [ACD/IUPAC Name]
5-({2-[5-(5-Bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-3-thienyl}sulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine [ACD/IUPAC Name]
5-({2-[5-(5-Bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-3-thiényl}sulfonyl)-4,5,6,7-tétrahydrothiéno[3,2-c]pyridine [French] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine, 5-[[2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-3-thienyl]sulfonyl]-4,5,6,7-tetrahydro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 707.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.02
ACD/KOC (pH 5.5): 2356.62
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.03
ACD/KOC (pH 7.4): 2356.63
Polar Surface Area: 154 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 302.8±3.0 cm3

Click to predict properties on the Chemicalize site


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