ChemSpider 2D Image | 5-{[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]-1-pentanone | C34H39N5O2S

5-{[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]-1-pentanone

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID21559816

More details:

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

1-Pentanone, 1-[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
5-{[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]-1-pentanon [German] [ACD/IUPAC Name]
5-{[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]-1-pentanone [ACD/IUPAC Name]
5-{[5-Benzyl-4-(2-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-méthyl-4-(4-méthylbenzoyl)-1-pipérazinyl]-1-pentanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 812.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.5±37.1 °C
Index of Refraction: 1.635
Molar Refractivity: 173.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10007.81
ACD/KOC (pH 5.5): 25409.82
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10010.24
ACD/KOC (pH 7.4): 25415.99
Polar Surface Area: 97 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 484.6±7.0 cm3

Click to predict properties on the Chemicalize site


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