ChemSpider 2D Image | 3-(4-Amino-5-{[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide | C21H23N7O3S2

3-(4-Amino-5-{[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide

  • Molecular FormulaC21H23N7O3S2
  • Average mass485.582 Da
  • Monoisotopic mass485.130371 Da
  • ChemSpider ID22097668

More details:

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

3-(4-Amino-5-{[(4-oxo-1,4-dihydro-2-chinazolinyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzolsulfonamid [German] [ACD/IUPAC Name]
3-(4-Amino-5-{[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide [ACD/IUPAC Name]
3-(4-Amino-5-{[(4-oxo-1,4-dihydro-2-quinazolinyl)méthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-diéthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[4-amino-5-[[(3,4-dihydro-4-oxo-2-quinazolinyl)methyl]thio]-4H-1,2,4-triazol-3-yl]-N,N-diethyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.64
ACD/KOC (pH 5.5): 237.60
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.61
ACD/KOC (pH 7.4): 237.10
Polar Surface Area: 169 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 323.8±7.0 cm3

Click to predict properties on the Chemicalize site


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