Found 329 results

Search term: MF = 'C_{22}H_{27}N_{7}O_{2}S'
ChemSpider 2D Image | 3-Butyl-7-ethyl-8-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3,7-dihydro-1H-purine-2,6-dione | C22H27N7O2S

3-Butyl-7-ethyl-8-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC22H27N7O2S
  • Average mass453.560 Da
  • Monoisotopic mass453.194702 Da
  • ChemSpider ID22388455

More details:

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

1H-Purine-2,6-dione, 3-butyl-7-ethyl-8-[[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-3,7-dihydro- [ACD/Index Name]
3-Butyl-7-ethyl-8-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
3-Butyl-7-ethyl-8-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
3-Butyl-7-éthyl-8-{[(4-éthyl-5-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 340.73
ACD/KOC (pH 5.5): 2260.91
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.91
ACD/KOC (pH 7.4): 2248.84
Polar Surface Area: 123 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 330.1±7.0 cm3

Click to predict properties on the Chemicalize site


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