ChemSpider 2D Image | 2-Methyl-2-propanyl 3-carbamoyl-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-1-azetidinecarboxylate | C17H22N4O7S

2-Methyl-2-propanyl 3-carbamoyl-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-1-azetidinecarboxylate

  • Molecular FormulaC17H22N4O7S
  • Average mass426.444 Da
  • Monoisotopic mass426.120911 Da
  • ChemSpider ID65275917

More details:

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

1-Azetidinecarboxylic acid, 3-(aminocarbonyl)-3-[[(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)sulfonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-carbamoyl-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-carbamoyl-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Carbamoyl-3-{[(3-méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-1-azétidinecarboxylate de 2-méthyl-2-propanyle [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: 654.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 36.88
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.83
Polar Surface Area: 157 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 278.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement