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Search term: MWDKFCLPSDTAMO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(4-Methylbenzyl)-1-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C26H24N6O3S2

4-(4-Methylbenzyl)-1-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC26H24N6O3S2
  • Average mass532.637 Da
  • Monoisotopic mass532.135132 Da
  • ChemSpider ID4019502

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 4-[(4-methylphenyl)methyl]-1-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]- [ACD/Index Name]
4-(4-Methylbenzyl)-1-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
4-(4-Methylbenzyl)-1-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
4-(4-Méthylbenzyl)-1-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]

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

ZINC03442793 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 823.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.9±37.1 °C
Index of Refraction: 1.756
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1319.31
ACD/KOC (pH 5.5): 5958.56
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1319.31
ACD/KOC (pH 7.4): 5958.59
Polar Surface Area: 135 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 357.2±7.0 cm3

Click to predict properties on the Chemicalize site


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