ChemSpider 2D Image | Benzyl [1-(2-{[1-(adamantan-1-yl)ethyl]carbamothioyl}hydrazino)-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]carbamate (non-preferred name) | C27H36N6O3S

Benzyl [1-(2-{[1-(adamantan-1-yl)ethyl]carbamothioyl}hydrazino)-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]carbamate (non-preferred name)

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID82519131

More details:

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

[1-(2-{[1-(Adamantan-1-yl)éthyl]carbamothioyl}hydrazino)-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]carbamate de benzyle (non-preferred name) [French] [ACD/IUPAC Name]
Benzyl [1-(2-{[1-(adamantan-1-yl)ethyl]carbamothioyl}hydrazino)-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]carbamate (non-preferred name) [ACD/IUPAC Name]
Benzyl-[1-(2-{[1-(adamantan-1-yl)ethyl]carbamothioyl}hydrazino)-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 23.35
ACD/KOC (pH 5.5): 158.22
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 269.43
ACD/KOC (pH 7.4): 1825.97
Polar Surface Area: 152 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 403.0±3.0 cm3

Click to predict properties on the Chemicalize site


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