ChemSpider 2D Image | N-{1-[4-Ethyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamide | C24H28N6O5S

N-{1-[4-Ethyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamide

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID2237618

More details:

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

Benzamide, N-[1-[4-ethyl-5-[[2-[(4-nitrophenyl)amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxy- [ACD/Index Name]
N-{1-[4-Ethyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-{1-[4-Ethyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamide [ACD/IUPAC Name]
N-{1-[4-Éthyl-5-({2-[(4-nitrophényl)amino]-2-oxoéthyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-méthylpropyl}-4-méthoxybenzamide [French] [ACD/IUPAC Name]
N-(1-{4-Ethyl-5-[(4-nitro-phenylcarbamoyl)-methylsulfanyl]-4H-[1,2,4]triazol-3-yl}-2-methyl-propyl)-4-methoxy-benzamide
N-{1-[4-ethyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamide

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: 4.97
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 228.12
ACD/KOC (pH 5.5): 1696.58
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 228.12
ACD/KOC (pH 7.4): 1696.59
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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