Found 5 results

Search term: MF = 'C_{38}H_{42}N_{4}OS'
ChemSpider 2D Image | 4-Hexyl-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)benzamide | C38H42N4OS

4-Hexyl-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)benzamide

  • Molecular FormulaC38H42N4OS
  • Average mass602.831 Da
  • Monoisotopic mass602.307922 Da
  • ChemSpider ID29220249

More details:

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

4-Hexyl-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)benzamid [German] [ACD/IUPAC Name]
4-Hexyl-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)benzamide [ACD/IUPAC Name]
4-Hexyl-N-(1-{5-[(3-méthylbenzyl)sulfanyl]-4-(4-méthylphényl)-4H-1,2,4-triazol-3-yl}-2-phényléthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-hexyl-N-[1-[4-(4-methylphenyl)-5-[[(3-methylphenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]-2-phenylethyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 186.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.56
ACD/LogD (pH 5.5): 9.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6440165.50
ACD/LogD (pH 7.4): 9.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6440434.00
Polar Surface Area: 85 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 534.7±7.0 cm3

Click to predict properties on the Chemicalize site


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