ChemSpider 2D Image | N-{(2S,3S)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butanyl}-4-methylbenzenesulfonamide | C20H23N3O3S3

N-{(2S,3S)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butanyl}-4-methylbenzenesulfonamide

  • Molecular FormulaC20H23N3O3S3
  • Average mass449.610 Da
  • Monoisotopic mass449.090149 Da
  • ChemSpider ID30656937

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1S,2S)-2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-(phenylmethyl)propyl]-4-methyl- [ACD/Index Name]
N-{(2S,3S)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butanyl}-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-{(2S,3S)-3-Hydroxy-4-[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phényl-2-butanyl}-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{(2S,3S)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butanyl}-4-methylbenzolsulfonamid [German] [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: 677.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.38
ACD/KOC (pH 5.5): 2510.51
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.18
ACD/KOC (pH 7.4): 2509.22
Polar Surface Area: 154 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

Click to predict properties on the Chemicalize site


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