ChemSpider 2D Image | THIOVARDENAFIL | C23H32N6O3S2

THIOVARDENAFIL

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID48063517

More details:






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

2-{2-Ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3H)-thion [German] [ACD/IUPAC Name]
2-{2-Ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazine-4(3H)-thione [ACD/IUPAC Name]
2-{2-Éthoxy-5-[(4-éthyl-1-pipérazinyl)sulfonyl]phényl}-5-méthyl-7-propylimidazo[5,1-f][1,2,4]triazine-4(3H)-thione [French] [ACD/IUPAC Name]
912576-24-0 [RN]
Imidazo[5,1-f][1,2,4]triazine-4(3H)-thione, 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl- [ACD/Index Name]
THIOVARDENAFIL
2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazine-4-thione

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

9B861171EM [DBID]
UNII:9B861171EM [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 695.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 22.08
ACD/KOC (pH 7.4): 217.66
Polar Surface Area: 133 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 366.9±7.0 cm3

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