ChemSpider 2D Image | N-{4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}-2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzamide | C29H32N2O2S

N-{4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}-2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzamide

  • Molecular FormulaC29H32N2O2S
  • Average mass472.642 Da
  • Monoisotopic mass472.218445 Da
  • ChemSpider ID62647924

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-N-(4-tricyclo[3.3.1.13,7]dec-1-ylphenyl)- [ACD/Index Name]
N-{4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}-2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzamid [German] [ACD/IUPAC Name]
N-{4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}-2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzamide [ACD/IUPAC Name]
N-{4-[(3s,5s,7s)-Adamantan-1-yl]phényl}-2-{[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]sulfanyl}benzamide [French] [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: 579.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43837.88
ACD/KOC (pH 5.5): 73150.73
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43837.78
ACD/KOC (pH 7.4): 73150.58
Polar Surface Area: 80 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

Click to predict properties on the Chemicalize site


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