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

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

  • Molecular FormulaC23H27N5O4S3
  • Average mass533.687 Da
  • Monoisotopic mass533.122498 Da
  • ChemSpider ID34227163

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-[(2,4,6-trimethylphenyl)sulfonyl]-L-phenylalanyl-N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
N-(Mesitylsulfonyl)-L-phenylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)-L-alaninamid [German] [ACD/IUPAC Name]
N-(Mesitylsulfonyl)-L-phenylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)-L-alaninamide [ACD/IUPAC Name]
N-(Mésitylsulfonyl)-L-phénylalanyl-N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)-L-alaninamide [French] [ACD/IUPAC Name]

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: 1.682
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 22.22
ACD/KOC (pH 5.5): 240.73
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 11.09
Polar Surface Area: 195 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 375.0±7.0 cm3

Click to predict properties on the Chemicalize site


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