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Search term: 78442230 (Found by CSID)
ChemSpider 2D Image | (1S,4R,5S)-5-Hydroxy-4-(1H-indol-3-yl)-1,8-dimethyl-2,3-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione | C15H15N3O3S2

(1S,4R,5S)-5-Hydroxy-4-(1H-indol-3-yl)-1,8-dimethyl-2,3-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione

  • Molecular FormulaC15H15N3O3S2
  • Average mass349.428 Da
  • Monoisotopic mass349.055481 Da
  • ChemSpider ID78442230

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4R,5S)-5-Hydroxy-4-(1H-indol-3-yl)-1,8-dimethyl-2,3-dithia-6,8-diazabicyclo[3.2.2]nonan-7,9-dion [German] [ACD/IUPAC Name]
(1S,4R,5S)-5-Hydroxy-4-(1H-indol-3-yl)-1,8-dimethyl-2,3-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione [ACD/IUPAC Name]
(1S,4R,5S)-5-Hydroxy-4-(1H-indol-3-yl)-1,8-diméthyl-2,3-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione [French] [ACD/IUPAC Name]
2,3-Dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione, 5-hydroxy-4-(1H-indol-3-yl)-1,8-dimethyl-, (1S,4R,5S)- [ACD/Index Name]
Lasiodipline D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 742.7±60.0 °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: 403.0±32.9 °C
Index of Refraction: 1.765
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.67
ACD/KOC (pH 5.5): 176.55
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.64
ACD/KOC (pH 7.4): 176.04
Polar Surface Area: 136 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 222.8±3.0 cm3

Click to predict properties on the Chemicalize site


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