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ChemSpider 2D Image | [2-Oxo-3-(phenylsulfanyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid | C18H17NO3S

[2-Oxo-3-(phenylsulfanyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

  • Molecular FormulaC18H17NO3S
  • Average mass327.397 Da
  • Monoisotopic mass327.092926 Da
  • ChemSpider ID25034752

More details:






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

[2-Oxo-3-(phenylsulfanyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid [ACD/IUPAC Name]
[2-Oxo-3-(phenylsulfanyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-1-Benzazepine-1-acetic acid, 2,3,4,5-tetrahydro-2-oxo-3-(phenylthio)- [ACD/Index Name]
Acide [2-oxo-3-(phénylsulfanyl)-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 620.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.1±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 12.48
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 241.7±5.0 cm3

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