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Search term: 78440748 (Found by CSID)
ChemSpider 2D Image | (2S,10a'R)-6'-Hydroxy-10a'-(methylsulfanyl)-10',10a'-dihydro-3H-spiro[1-benzofuran-2,3'-pyrazino[1,2-a]indole]-1',4'(2'H)-dione | C19H16N2O4S

(2S,10a'R)-6'-Hydroxy-10a'-(methylsulfanyl)-10',10a'-dihydro-3H-spiro[1-benzofuran-2,3'-pyrazino[1,2-a]indole]-1',4'(2'H)-dione

  • Molecular FormulaC19H16N2O4S
  • Average mass368.406 Da
  • Monoisotopic mass368.083069 Da
  • ChemSpider ID78440748

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,10a'R)-6'-Hydroxy-10a'-(methylsulfanyl)-10',10a'-dihydro-3H-spiro[1-benzofuran-2,3'-pyrazino[1,2-a]indole]-1',4'(2'H)-dione [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),3'(4'H)-pyrazino[1,2-a]indole]-1',4'(2'H)-dione, 10',10'a-dihydro-6'-hydroxy-10'a-(methylthio)-, (2S,10a'R)- [ACD/Index Name]
Spirobrocazine B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 387.7±32.9 °C
Index of Refraction: 1.769
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.60
ACD/KOC (pH 5.5): 201.12
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.08
ACD/KOC (pH 7.4): 192.13
Polar Surface Area: 104 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 233.1±5.0 cm3

Click to predict properties on the Chemicalize site


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