ChemSpider 2D Image | N-Isopropyl-2-({5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide | C30H33N5O4S2

N-Isopropyl-2-({5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

  • Molecular FormulaC30H33N5O4S2
  • Average mass591.744 Da
  • Monoisotopic mass591.197388 Da
  • ChemSpider ID1767797

More details:

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

Acetamide, N-(1-methylethyl)-2-[[5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-phenyl- [ACD/Index Name]
N-Isopropyl-2-({5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamid [German] [ACD/IUPAC Name]
N-Isopropyl-2-({5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide [ACD/IUPAC Name]
N-Isopropyl-2-({5-[2-méthyl-5-(4-morpholinylsulfonyl)phényl]-4-phényl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phénylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 425.8±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 165.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7507.09
ACD/KOC (pH 5.5): 20684.83
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7507.17
ACD/KOC (pH 7.4): 20685.05
Polar Surface Area: 131 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 449.9±7.0 cm3

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