ChemSpider 2D Image | 1-[1-(Ethylsulfonyl)-3-azetidinyl]-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide | C12H21N5O4S

1-[1-(Ethylsulfonyl)-3-azetidinyl]-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID65234932

More details:

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

1-[1-(Ethylsulfonyl)-3-azetidinyl]-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-[1-(Ethylsulfonyl)-3-azetidinyl]-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-[1-(Éthylsulfonyl)-3-azétidinyl]-N-(2-méthoxyéthyl)-N-méthyl-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[1-(ethylsulfonyl)-3-azetidinyl]-N-(2-methoxyethyl)-N-methyl- [ACD/Index Name]
1-[1-(ethylsulfonyl)-3-azetanyl]-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.1±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 82.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.91
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 106 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 232.1±7.0 cm3

Click to predict properties on the Chemicalize site


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