ChemSpider 2D Image | N-(Adamantan-1-yl)-2-{[5-(2-chlorophenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide | C25H33ClN4O2S

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

  • Molecular FormulaC25H33ClN4O2S
  • Average mass489.073 Da
  • Monoisotopic mass488.201263 Da
  • ChemSpider ID31249930

More details:

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

N-(Adamantan-1-yl)-2-{[5-(2-chlorophenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-2-{[5-(2-chlorophényl)-4-(3-méthoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-2-{[5-(2-chlorphenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-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: 1.689
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4151.98
ACD/KOC (pH 5.5): 13537.53
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4152.02
ACD/KOC (pH 7.4): 13537.66
Polar Surface Area: 94 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 348.2±7.0 cm3

Click to predict properties on the Chemicalize site


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