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Search term: 62429276 (Found by CSID)
ChemSpider 2D Image | eutypellazine N | C19H20N2O3S2

eutypellazine N

  • Molecular FormulaC19H20N2O3S2
  • Average mass388.504 Da
  • Monoisotopic mass388.091522 Da
  • ChemSpider ID62429276

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,5'R,7S,7aS)-5'-Benzyl-7-hydroxy-5'-(methylsulfanyl)-7,7a-dihydro-3H,3'H,6'H-spiro[1-benzothiophene-2,2'-piperazine]-3',6'-dion [German] [ACD/IUPAC Name]
(2R,5'R,7S,7aS)-5'-Benzyl-7-hydroxy-5'-(methylsulfanyl)-7,7a-dihydro-3H,3'H,6'H-spiro[1-benzothiophene-2,2'-piperazine]-3',6'-dione [ACD/IUPAC Name]
(2R,5'R,7S,7aS)-5'-Benzyl-7-hydroxy-5'-(méthylsulfanyl)-7,7a-dihydro-3H,3'H,6'H-spiro[1-benzothiophene-2,2'-piperazine]-3',6'-dione [French] [ACD/IUPAC Name]
eutypellazine N
Spiro[benzo[b]thiophene-2(3H),2'-piperazine]-3',6'-dione, 7,7a-dihydro-7-hydroxy-5'-(methylthio)-5'-(phenylmethyl)-, (2R,5'R,7S,7aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 129 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 269.4±5.0 cm3

Click to predict properties on the Chemicalize site


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