ChemSpider 2D Image | (4-Oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetate | C17H14NO3S

(4-Oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetate

  • Molecular FormulaC17H14NO3S
  • Average mass312.363 Da
  • Monoisotopic mass312.069977 Da
  • ChemSpider ID21205293

  • Charge - Charge

More details:

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

(4-Oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetat [German] [ACD/IUPAC Name]
(4-Oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetate [ACD/IUPAC Name]
(4-Oxo-2-phényl-3,4-dihydro-1,5-benzothiazépin-5(2H)-yl)acétate [French] [ACD/IUPAC Name]
1,5-Benzothiazepine-5(2H)-acetic acid, 3,4-dihydro-4-oxo-2-phenyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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