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

N-(Adamantan-1-yl)-N-(4-chlorobenzyl)-2-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC25H33ClN4O2S
  • Average mass489.073 Da
  • Monoisotopic mass488.201263 Da
  • ChemSpider ID21642275

More details:

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

Acetamide, N-[(4-chlorophenyl)methyl]-2-[[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio]-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-(Adamantan-1-yl)-N-(4-chlorbenzyl)-2-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-N-(4-chlorobenzyl)-2-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-N-(4-chlorobenzyl)-2-{[4-(3-méthoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC 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: 659.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.7±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3695.84
ACD/KOC (pH 5.5): 12455.11
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3696.29
ACD/KOC (pH 7.4): 12456.64
Polar Surface Area: 86 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 355.2±7.0 cm3

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