ChemSpider 2D Image | 4-(Ethylamino)-3-{[(4-ethyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]amino}-N,N-dimethylbenzenesulfonamide | C22H27N7O3S

4-(Ethylamino)-3-{[(4-ethyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]amino}-N,N-dimethylbenzenesulfonamide

  • Molecular FormulaC22H27N7O3S
  • Average mass469.560 Da
  • Monoisotopic mass469.189606 Da
  • ChemSpider ID30575008

More details:

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

4-(Ethylamino)-3-{[(4-ethyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1-yl)methyl]amino}-N,N-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-(Ethylamino)-3-{[(4-ethyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]amino}-N,N-dimethylbenzenesulfonamide [ACD/IUPAC Name]
4-(Éthylamino)-3-{[(4-éthyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)méthyl]amino}-N,N-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-(ethylamino)-3-[[(4-ethyl-4,5-dihydro-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]amino]-N,N-dimethyl- [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: 748.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.7±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 66.13
ACD/KOC (pH 5.5): 686.46
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.53
ACD/KOC (pH 7.4): 732.12
Polar Surface Area: 121 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 337.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement