ChemSpider 2D Image | 2-{[4-Ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-nitrophenyl)acetamide | C24H28N6O5S

2-{[4-Ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-nitrophenyl)acetamide

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID3782938

More details:

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

2-{[4-Ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-{[4-Ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-nitrophenyl)acetamide [ACD/IUPAC Name]
2-{[4-Éthyl-5-(1-{[2-(4-méthoxyphényl)acétyl]amino}éthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-méthyl-4-nitrophényl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[1-[4-ethyl-5-[[2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]-4-methoxy- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.26
ACD/KOC (pH 5.5): 2128.97
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.26
ACD/KOC (pH 7.4): 2128.95
Polar Surface Area: 169 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 380.0±7.0 cm3

Click to predict properties on the Chemicalize site


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