ChemSpider 2D Image | [3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate | C16H19N2O5S

[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate

  • Molecular FormulaC16H19N2O5S
  • Average mass351.398 Da
  • Monoisotopic mass351.102020 Da
  • ChemSpider ID95763006

  • Charge - Charge

More details:

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

[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetat [German] [ACD/IUPAC Name]
[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate [ACD/IUPAC Name]
[3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3,4-dihydro-1,5-benzothiazépin-5(2H)-yl]acétate [French] [ACD/IUPAC Name]
1,5-Benzothiazepine-5(2H)-acetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 622.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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