ChemSpider 2D Image | N-(Adamantan-1-yl)-2-({5-[(2,4-dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C29H32Cl2N4O2S

N-(Adamantan-1-yl)-2-({5-[(2,4-dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC29H32Cl2N4O2S
  • Average mass571.561 Da
  • Monoisotopic mass570.162292 Da
  • ChemSpider ID4230794

More details:

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

Acetamide, 2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-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)-2-({5-[(2,4-dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-2-({5-[(2,4-dichlorophénoxy)méthyl]-4-(2,5-diméthylphényl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-2-({5-[(2,4-dichlorphenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 212283.25
ACD/KOC (pH 5.5): 226245.98
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 212284.66
ACD/KOC (pH 7.4): 226247.47
Polar Surface Area: 94 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 393.1±7.0 cm3

Click to predict properties on the Chemicalize site


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