ChemSpider 2D Image | N-(5-Chloro-2-methoxyphenyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazinecarbothioamide | C21H24Cl2N6O2S

N-(5-Chloro-2-methoxyphenyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazinecarbothioamide

  • Molecular FormulaC21H24Cl2N6O2S
  • Average mass495.425 Da
  • Monoisotopic mass494.105835 Da
  • ChemSpider ID21797703

More details:

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

N-(5-Chlor-2-methoxyphenyl)-2-{[3-(3-chlor-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-methoxyphenyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-(5-Chloro-2-méthoxyphényl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-, 2-[[(5-chloro-2-methoxyphenyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
[3-(3-chloro(1,2,4-triazolyl))adamantanyl]-N-({[(5-chloro-2-methoxyphenyl)amino]thioxomethyl}amino)carboxamide
N-(5-chloro-2-methoxyphenyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}hydrazinecarbothioamide
N-(5-chloro-2-methoxyphenyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.13,7]dec-1-yl]carbonyl}hydrazinecarbothioamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 484.99
ACD/KOC (pH 5.5): 2910.73
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 472.37
ACD/KOC (pH 7.4): 2835.00
Polar Surface Area: 125 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 303.1±7.0 cm3

Click to predict properties on the Chemicalize site


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