Found 25 results

Search term: MF = 'C_{32}H_{45}N_{5}O_{3}S'
ChemSpider 2D Image | 1-[4-({[5-(2-Furyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-methyl-1-piperazinyl]-1-dodecanone | C32H45N5O3S

1-[4-({[5-(2-Furyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-methyl-1-piperazinyl]-1-dodecanone

  • Molecular FormulaC32H45N5O3S
  • Average mass579.796 Da
  • Monoisotopic mass579.324280 Da
  • ChemSpider ID2503809

More details:

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

1-[4-({[5-(2-Furyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-methyl-1-piperazinyl]-1-dodecanon [German] [ACD/IUPAC Name]
1-[4-({[5-(2-Furyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-methyl-1-piperazinyl]-1-dodecanone [ACD/IUPAC Name]
1-[4-(2-{[5-(2-Furyl)-4-(2-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)-2-méthyl-1-pipérazinyl]-1-dodécanone [French] [ACD/IUPAC Name]
1-Dodecanone, 1-[4-[2-[[5-(2-furanyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-2-methyl-1-piperazinyl]- [ACD/Index 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: 759.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.3±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 168.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 428520.25
ACD/KOC (pH 5.5): 374055.09
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 428526.84
ACD/KOC (pH 7.4): 374060.84
Polar Surface Area: 110 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 487.5±7.0 cm3

Click to predict properties on the Chemicalize site


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