ChemSpider 2D Image | N-(4-Methyl-2-nitrophenyl)-2-{[5-(4-methyl-1-piperidinyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C22H30N6O4S

N-(4-Methyl-2-nitrophenyl)-2-{[5-(4-methyl-1-piperidinyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC22H30N6O4S
  • Average mass474.576 Da
  • Monoisotopic mass474.204926 Da
  • ChemSpider ID22453734

More details:

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

Acetamide, N-(4-methyl-2-nitrophenyl)-2-[[5-(4-methyl-1-piperidinyl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(4-Methyl-2-nitrophenyl)-2-{[5-(4-methyl-1-piperidinyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(4-Methyl-2-nitrophenyl)-2-{[5-(4-methyl-1-piperidinyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(4-Méthyl-2-nitrophényl)-2-{[5-(4-méthyl-1-pipéridinyl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 235.02
ACD/KOC (pH 5.5): 1688.51
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.30
ACD/KOC (pH 7.4): 1848.57
Polar Surface Area: 143 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


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