ChemSpider 2D Image | 6-{[4-({4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}carbonyl)-1-piperidinyl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one | C24H32N6O5S

6-{[4-({4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}carbonyl)-1-piperidinyl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID44218095

More details:

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

2(3H)-Benzoxazolone, 6-[[4-[[4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl]carbonyl]-1-piperidinyl]sulfonyl]-3-methyl- [ACD/Index Name]
6-{[4-({4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}carbonyl)-1-piperidinyl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
6-{[4-({4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}carbonyl)-1-piperidinyl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
6-{[4-({4-[(4-Éthyl-4H-1,2,4-triazol-3-yl)méthyl]-1-pipéridinyl}carbonyl)-1-pipéridinyl]sulfonyl}-3-méthyl-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
6-{[4-({4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}carbonyl)piperidino]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 753.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.7±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 134.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.96
ACD/KOC (pH 5.5): 306.33
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.18
ACD/KOC (pH 7.4): 309.55
Polar Surface Area: 126 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 348.0±7.0 cm3

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