ChemSpider 2D Image | 2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide | C27H36N6OS

2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide

  • Molecular FormulaC27H36N6OS
  • Average mass492.679 Da
  • Monoisotopic mass492.267120 Da
  • ChemSpider ID68679680

More details:

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

2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamid [German] [ACD/IUPAC Name]
2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide [ACD/IUPAC Name]
2-({4-Allyl-5-[(1-naphtylamino)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,2,6,6-tétraméthyl-4-pipéridinyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(1-naphthalenylamino)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2,6,6-tetramethyl-4-piperidinyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 6.28
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 12.97
Polar Surface Area: 109 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 405.2±7.0 cm3

Click to predict properties on the Chemicalize site


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