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Search term: VBBNMPKSMZCPQE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(2-Biphenylylmethyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazinecarbothioamide | C27H29ClN6OS

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

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID102446950

More details:

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

N-(2-Biphenylylmethyl)-2-{[3-(3-chlor-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-(2-Biphenylylmethyl)-2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]carbonyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-(2-Biphénylylméthyl)-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-[[([1,1'-biphenyl]-2-ylmethyl)amino]thioxomethyl]hydrazide [ACD/Index 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: 1.748
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2134.59
ACD/KOC (pH 5.5): 8408.05
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2107.11
ACD/KOC (pH 7.4): 8299.78
Polar Surface Area: 116 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 355.9±7.0 cm3

Click to predict properties on the Chemicalize site


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