ChemSpider 2D Image | 2-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(4-ethoxyphenyl)acetamide | C21H27N5O4S

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

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID21802164

More details:

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

2-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(4-ethoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(4-ethoxyphenyl)acetamide [ACD/IUPAC Name]
2-(4-Allyl-5-{[2-(4-morpholinyl)-2-oxoéthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(4-éthoxyphényl)acétamide [French] [ACD/IUPAC Name]
2-(4-Allyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(4-ethoxyphenyl)acetamide
4H-1,2,4-Triazole-3-acetamide, N-(4-ethoxyphenyl)-5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-(2-propen-1-yl)- [ACD/Index Name]
N-(4-ethoxyphenyl)-2-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)acetamide
N-(4-ethoxyphenyl)-2-[5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]acetamide

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: 1.626
Molar Refractivity: 120.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.42
ACD/KOC (pH 5.5): 312.07
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.43
ACD/KOC (pH 7.4): 312.11
Polar Surface Area: 124 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 340.9±7.0 cm3

Click to predict properties on the Chemicalize site


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