ChemSpider 2D Image | N-(Mesitylsulfonyl)phenylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)alaninamide | C23H27N5O4S3

N-(Mesitylsulfonyl)phenylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)alaninamide

  • Molecular FormulaC23H27N5O4S3
  • Average mass533.687 Da
  • Monoisotopic mass533.122498 Da
  • ChemSpider ID23178892

More details:

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

Alaninamide, N-[(2,4,6-trimethylphenyl)sulfonyl]phenylalanyl-N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
N-(Mesitylsulfonyl)phenylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)alaninamid [German] [ACD/IUPAC Name]
N-(Mesitylsulfonyl)phenylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)alaninamide [ACD/IUPAC Name]
N-(Mésitylsulfonyl)phénylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)alaninamide [French] [ACD/IUPAC Name]
N-[(2,4,6-trimethylphenyl)sulfonyl]phenylalanyl-N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)alaninamide
5-mercapto-1,3,4-thiadiazole 12q
N-[1-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethyl]-3-phenyl-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 388.3±3.0 cm3

Click to predict properties on the Chemicalize site


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