Found 4 results

Search term: GOVAPBKDCLYKBI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-N-(3-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide | C22H24N2O6S2

(2R)-N-(3-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

  • Molecular FormulaC22H24N2O6S2
  • Average mass476.566 Da
  • Monoisotopic mass476.107574 Da
  • ChemSpider ID62619895

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-N-(3-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-benzodioxin-2-carboxamid [German] [ACD/IUPAC Name]
(2R)-N-(3-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide [ACD/IUPAC Name]
(2R)-N-(3-{[(3S)-1,1-Dioxydotétrahydro-3-thiophényl]carbamoyl}-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide [French] [ACD/IUPAC Name]
1,4-Benzodioxin-2-carboxamide, 2,3-dihydro-N-[4,5,6,7-tetrahydro-3-[[[(3S)-tetrahydro-1,1-dioxido-3-thienyl]amino]carbonyl]benzo[b]thien-2-yl]-, (2R)- [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: 754.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.87
ACD/KOC (pH 5.5): 423.93
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.86
ACD/KOC (pH 7.4): 423.92
Polar Surface Area: 147 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 319.2±5.0 cm3

Click to predict properties on the Chemicalize site


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