ChemSpider 2D Image | 1-{4-Allyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-methyl-N-[(3-methyl-2-quinoxalinyl)methyl]methanamine | C24H25FN6S

1-{4-Allyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-methyl-N-[(3-methyl-2-quinoxalinyl)methyl]methanamine

  • Molecular FormulaC24H25FN6S
  • Average mass448.559 Da
  • Monoisotopic mass448.184540 Da
  • ChemSpider ID23071574

More details:

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

1-{4-Allyl-5-[(3-fluorbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-methyl-N-[(3-methyl-2-chinoxalinyl)methyl]methanamin [German] [ACD/IUPAC Name]
1-{4-Allyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-methyl-N-[(3-methyl-2-quinoxalinyl)methyl]methanamine [ACD/IUPAC Name]
1-{4-Allyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-méthyl-N-[(3-méthyl-2-quinoxalinyl)méthyl]méthanamine [French] [ACD/IUPAC Name]
2-Quinoxalinemethanamine, N-[[5-[[(3-fluorophenyl)methyl]thio]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl- [ACD/Index Name]
({4-allyl-5-[(3-fluorobenzyl)thio]-4H-1,2,4-triazol-3-yl}methyl)methyl[(3-methyl-2-quinoxalinyl)methyl]amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.2±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1170.90
ACD/KOC (pH 5.5): 5277.93
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1326.19
ACD/KOC (pH 7.4): 5977.95
Polar Surface Area: 85 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 359.8±7.0 cm3

Click to predict properties on the Chemicalize site


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