ChemSpider 2D Image | N-[1-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methoxybenzamide | C23H31N5O4S

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

  • Molecular FormulaC23H31N5O4S
  • Average mass473.588 Da
  • Monoisotopic mass473.209686 Da
  • ChemSpider ID21802113

More details:

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

Benzamide, 4-methoxy-N-[2-methyl-1-[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]propyl]- [ACD/Index Name]
N-[1-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-[1-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methoxybenzamide [ACD/IUPAC Name]
N-[1-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoéthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-méthylpropyl]-4-méthoxybenzamide [French] [ACD/IUPAC Name]
N-[1-(4-Allyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methoxybenzamide
4-methoxy-N-[2-methyl-1-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)propyl]benzamide
4-methoxy-N-{2-methyl-1-[5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]propyl}benzamide

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: 1.615
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.71
ACD/KOC (pH 5.5): 536.84
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.71
ACD/KOC (pH 7.4): 536.87
Polar Surface Area: 124 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 371.2±7.0 cm3

Click to predict properties on the Chemicalize site


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