ChemSpider 2D Image | N-(5-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(diethylsulfamoyl)benzamide | C22H25N5O4S3

N-(5-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(diethylsulfamoyl)benzamide

  • Molecular FormulaC22H25N5O4S3
  • Average mass519.660 Da
  • Monoisotopic mass519.106873 Da
  • ChemSpider ID20894784

More details:

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

Benzamide, 4-[(diethylamino)sulfonyl]-N-[5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
N-(5-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(diethylsulfamoyl)benzamid [German] [ACD/IUPAC Name]
N-(5-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(diethylsulfamoyl)benzamide [ACD/IUPAC Name]
N-(5-{[2-(Benzylamino)-2-oxoéthyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(diéthylsulfamoyl)benzamide [French] [ACD/IUPAC Name]
N-(5-((2-(benzylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(N,N-diethylsulfamoyl)benzamide

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: 1.667
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.97
ACD/KOC (pH 5.5): 1237.32
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 116.21
ACD/KOC (pH 7.4): 978.38
Polar Surface Area: 183 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 363.1±5.0 cm3

Click to predict properties on the Chemicalize site


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