ChemSpider 2D Image | N-{2-[(3s,5s,7s)-Adamantan-1-ylamino]-2-oxoethyl}-2-sulfanylbenzamide | C19H24N2O2S

N-{2-[(3s,5s,7s)-Adamantan-1-ylamino]-2-oxoethyl}-2-sulfanylbenzamide

  • Molecular FormulaC19H24N2O2S
  • Average mass344.471 Da
  • Monoisotopic mass344.155853 Da
  • ChemSpider ID35034967
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Benzamide, 2-mercapto-N-[2-oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl]- [ACD/Index Name]
N-{2-[(3s,5s,7s)-Adamantan-1-ylamino]-2-oxoethyl}-2-sulfanylbenzamid [German] [ACD/IUPAC Name]
N-{2-[(3s,5s,7s)-Adamantan-1-ylamino]-2-oxoethyl}-2-sulfanylbenzamide [ACD/IUPAC Name]
N-{2-[(3s,5s,7s)-Adamantan-1-ylamino]-2-oxoéthyl}-2-sulfanylbenzamide [French] [ACD/IUPAC Name]
2W7
N-{2-Oxo-2-[(3s,5s,7s)-Tricyclo[3.3.1.13,7]dec-1-Ylamino]ethyl}-2-Sulfanylbenzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 597.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.2±28.2 °C
Index of Refraction: 1.626
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 65.80
ACD/KOC (pH 5.5): 657.57
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 43.01
Polar Surface Area: 97 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 271.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement