ChemSpider 2D Image | N-[(4-Ethyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide | C20H27N5O5S

N-[(4-Ethyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide

  • Molecular FormulaC20H27N5O5S
  • Average mass449.524 Da
  • Monoisotopic mass449.173279 Da
  • ChemSpider ID21802122

More details:

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

Benzamide, N-[[4-ethyl-5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy- [ACD/Index Name]
N-[(4-Ethyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-[(4-Ethyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide [ACD/IUPAC Name]
N-[(4-Éthyl-5-{[2-(4-morpholinyl)-2-oxoéthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)méthyl]-3,4-diméthoxybenzamide [French] [ACD/IUPAC Name]
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide

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: 1.628
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 78.05
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 78.06
Polar Surface Area: 133 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 330.4±7.0 cm3

Click to predict properties on the Chemicalize site


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