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

5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methyl-1-piperazinyl]-1-pentanone

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID4374759

More details:

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

1-Pentanone, 1-[4-(4-ethylbenzoyl)-3-methyl-1-piperazinyl]-5-[[4-phenyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methyl-1-piperazinyl]-1-pentanon [German] [ACD/IUPAC Name]
5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methyl-1-piperazinyl]-1-pentanone [ACD/IUPAC Name]
5-[(5-Benzyl-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-éthylbenzoyl)-3-méthyl-1-pipérazinyl]-1-pentanone [French] [ACD/IUPAC Name]
5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one
5887-99-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 808.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 442.8±37.1 °C
Index of Refraction: 1.634
Molar Refractivity: 173.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5611.52
ACD/KOC (pH 5.5): 16794.01
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5612.86
ACD/KOC (pH 7.4): 16798.01
Polar Surface Area: 97 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 485.5±7.0 cm3

Click to predict properties on the Chemicalize site


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