ChemSpider 2D Image | 2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 3-{[1-(adamantan-1-yl)ethyl]sulfamoyl}benzoate | C28H39N3O6S

2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 3-{[1-(adamantan-1-yl)ethyl]sulfamoyl}benzoate

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID3529529

More details:

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

2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 3-{[1-(adamantan-1-yl)ethyl]sulfamoyl}benzoate [ACD/IUPAC Name]
2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl-3-{[1-(adamantan-1-yl)ethyl]sulfamoyl}benzoat [German] [ACD/IUPAC Name]
3-{[1-(Adamantan-1-yl)éthyl]sulfamoyl}benzoate de 2-[(cyclohexylcarbamoyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]sulfonyl]-, 2-[[(cyclohexylamino)carbonyl]amino]-2-oxoethyl ester [ACD/Index 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: 1.602
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7225.11
ACD/KOC (pH 5.5): 20124.57
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7111.98
ACD/KOC (pH 7.4): 19809.46
Polar Surface Area: 139 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 414.4±5.0 cm3

Click to predict properties on the Chemicalize site


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