ChemSpider 2D Image | 4-(Diethylsulfamoyl)-N-{4-[(5R,7S)-3-phenyladamantan-1-yl]phenyl}benzamide | C33H38N2O3S

4-(Diethylsulfamoyl)-N-{4-[(5R,7S)-3-phenyladamantan-1-yl]phenyl}benzamide

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID1728279

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

4-(Diethylsulfamoyl)-N-{4-[(5R,7S)-3-phenyladamantan-1-yl]phenyl}benzamid [German] [ACD/IUPAC Name]
4-(Diethylsulfamoyl)-N-{4-[(5R,7S)-3-phenyladamantan-1-yl]phenyl}benzamide [ACD/IUPAC Name]
4-(Diéthylsulfamoyl)-N-{4-[(5R,7S)-3-phényladamantan-1-yl]phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(diethylamino)sulfonyl]-N-[4-[(5R,7S)-3-phenyltricyclo[3.3.1.13,7]dec-1-yl]phenyl]- [ACD/Index Name]

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

ZINC03174720 [DBID]

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: 1.636
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 181179.11
ACD/KOC (pH 5.5): 201990.19
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 181178.13
ACD/KOC (pH 7.4): 201989.08
Polar Surface Area: 75 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 434.8±3.0 cm3

Click to predict properties on the Chemicalize site


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