ChemSpider 2D Image | N-(Adamantan-1-yl)-2-{[4-phenyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide | C27H37N5OS

N-(Adamantan-1-yl)-2-{[4-phenyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide

  • Molecular FormulaC27H37N5OS
  • Average mass479.681 Da
  • Monoisotopic mass479.271881 Da
  • ChemSpider ID31223699

More details:

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

N-(Adamantan-1-yl)-2-{[4-phenyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-2-{[4-phenyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-2-{[4-phényl-5-(1-pipéridinylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[4-phenyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]thio]-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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: 1.723
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 201.54
ACD/KOC (pH 5.5): 730.96
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2445.11
ACD/KOC (pH 7.4): 8868.08
Polar Surface Area: 88 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 347.7±7.0 cm3

Click to predict properties on the Chemicalize site


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