ChemSpider 2D Image | N-({1-[(3s,5s,7s)-Adamantan-1-yl]ethyl}carbamothioyl)-4-isopropoxybenzamide | C23H32N2O2S

N-({1-[(3s,5s,7s)-Adamantan-1-yl]ethyl}carbamothioyl)-4-isopropoxybenzamide

  • Molecular FormulaC23H32N2O2S
  • Average mass400.577 Da
  • Monoisotopic mass400.218445 Da
  • ChemSpider ID79713343

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

Benzamide, 4-(1-methylethoxy)-N-[thioxo[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]methyl]- [ACD/Index Name]
N-({1-[(3s,5s,7s)-Adamantan-1-yl]ethyl}carbamothioyl)-4-isopropoxybenzamid [German] [ACD/IUPAC Name]
N-({1-[(3s,5s,7s)-Adamantan-1-yl]ethyl}carbamothioyl)-4-isopropoxybenzamide [ACD/IUPAC Name]
N-({1-[(3s,5s,7s)-Adamantan-1-yl]éthyl}carbamothioyl)-4-isopropoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1747.08
ACD/KOC (pH 5.5): 7284.86
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1721.99
ACD/KOC (pH 7.4): 7180.25
Polar Surface Area: 82 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement