ChemSpider 2D Image | (1S)-2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C23H19N3O5S

(1S)-2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC23H19N3O5S
  • Average mass449.479 Da
  • Monoisotopic mass449.104553 Da
  • ChemSpider ID62544133

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
(1S)-2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
(1S)-2-(5-Éthyl-1,3,4-thiadiazol-2-yl)-1-(4-hydroxy-3-méthoxyphényl)-7-méthyl-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-dihydro-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-, (1S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 656.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 350.9±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.65
ACD/KOC (pH 5.5): 944.50
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.12
ACD/KOC (pH 7.4): 939.56
Polar Surface Area: 130 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 295.6±5.0 cm3

Click to predict properties on the Chemicalize site


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