ChemSpider 2D Image | N-(2-{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide | C21H28N6O5S

N-(2-{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

  • Molecular FormulaC21H28N6O5S
  • Average mass476.549 Da
  • Monoisotopic mass476.184174 Da
  • ChemSpider ID65231977

More details:

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

6-Benzoxazolesulfonamide, N-[2-[4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl]-2-oxoethyl]-2,3-dihydro-N,3-dimethyl-2-oxo- [ACD/Index Name]
N-(2-{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-sulfonamid [German] [ACD/IUPAC Name]
N-(2-{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide [ACD/IUPAC Name]
N-(2-{4-[(4-Éthyl-4H-1,2,4-triazol-3-yl)méthyl]-1-pipéridinyl}-2-oxoéthyl)-N,3-diméthyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide [French] [ACD/IUPAC Name]
N-(2-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 714.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 111.26
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 112.43
Polar Surface Area: 126 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 327.6±7.0 cm3

Click to predict properties on the Chemicalize site


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