ChemSpider 2D Image | N-{5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide | C21H19N5O3S2

N-{5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide

  • Molecular FormulaC21H19N5O3S2
  • Average mass453.537 Da
  • Monoisotopic mass453.092926 Da
  • ChemSpider ID21595607

More details:

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

Benzamide, 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-[[(3-methylphenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
N-{5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamid [German] [ACD/IUPAC Name]
N-{5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide [ACD/IUPAC Name]
N-{5-[(3-Méthylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(4-méthyl-1,2,5-oxadiazol-3-yl)méthoxy]benzamide [French] [ACD/IUPAC Name]
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
912915-27-6 [RN]

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: 1.676
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.01
ACD/KOC (pH 5.5): 3458.02
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 593.09
ACD/KOC (pH 7.4): 3324.01
Polar Surface Area: 157 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 317.2±5.0 cm3

Click to predict properties on the Chemicalize site


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