Found 35 results

Search term: MF = 'C_{21}H_{22}N_{4}O_{6}S_{3}'
ChemSpider 2D Image | Methyl [(5-{[N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate | C21H22N4O6S3

Methyl [(5-{[N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

  • Molecular FormulaC21H22N4O6S3
  • Average mass522.618 Da
  • Monoisotopic mass522.070129 Da
  • ChemSpider ID80980728

More details:

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

[(5-{[N-(Méthylsulfonyl)-N-(4-phénoxyphényl)alanyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[2-[(methylsulfonyl)(4-phenoxyphenyl)amino]-1-oxopropyl]amino]-1,3,4-thiadiazol-2-yl]thio]-, methyl ester [ACD/Index Name]
Methyl [(5-{[N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(5-{[N-(methylsulfonyl)-N-(4-phenoxyphenyl)alanyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.08
ACD/KOC (pH 5.5): 1262.81
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 137.57
ACD/KOC (pH 7.4): 1149.89
Polar Surface Area: 190 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

Click to predict properties on the Chemicalize site


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