ChemSpider 2D Image | 4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide | C14H20N6O4S2

4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC14H20N6O4S2
  • Average mass400.476 Da
  • Monoisotopic mass400.098755 Da
  • ChemSpider ID30015185

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]hexahydro-N-(5-methyl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-N-(5-méthyl-1,3,4-thiadiazol-2-yl)-1,4-diazépane-1-carboxamide [French] [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: 1.617
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.36
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 38.91
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.66
Polar Surface Area: 158 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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