ChemSpider 2D Image | 3-(Benzylsulfanyl)-6-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate | C31H34N4O2S

3-(Benzylsulfanyl)-6-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID30662101

More details:

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

[1,2,4]Triazino[1,6-c]quinazolin-5-ium, 6-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-6,7-dihydro-1-hydroxy-3-[(phenylmethyl)thio]-, inner salt [ACD/Index Name]
3-(Benzylsulfanyl)-6-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-6,7-dihydro[1,2,4]triazino[1,6-c]chinazolin-5-ium-1-olat [German] [ACD/IUPAC Name]
3-(Benzylsulfanyl)-6-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate [ACD/IUPAC Name]
3-(Benzylsulfanyl)-6-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate [French] [ACD/IUPAC Name]
3-(benzylthio)-6-(3,5-di-tert-butyl-4-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
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: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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