ChemSpider 2D Image | 2-Methyl-2-propanyl [(5S)-5-azido-6-({[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamothioyl}amino)hexyl]carbamate | C25H40N6O5S2

2-Methyl-2-propanyl [(5S)-5-azido-6-({[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamothioyl}amino)hexyl]carbamate

  • Molecular FormulaC25H40N6O5S2
  • Average mass568.752 Da
  • Monoisotopic mass568.250183 Da
  • ChemSpider ID9846107

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(5S)-5-Azido-6-({[(2,2,4,6,7-pentaméthyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamothioyl}amino)hexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(5S)-5-azido-6-({[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamothioyl}amino)hexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(5S)-5-azido-6-({[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamothioyl}amino)hexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(5S)-5-azido-6-[[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]thioxomethyl]amino]hexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 106.35
ACD/KOC (pH 5.5): 279.07
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 89.34
ACD/KOC (pH 7.4): 234.46
Polar Surface Area: 159 Å2
Polarizability:
Surface Tension:
Molar Volume:

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