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Search term: HCEJWCRNRFAUCM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {3-[(4-Chlorophenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid | C18H16ClNO3S

{3-[(4-Chlorophenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid

  • Molecular FormulaC18H16ClNO3S
  • Average mass361.842 Da
  • Monoisotopic mass361.053955 Da
  • ChemSpider ID25046993

More details:

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

{3-[(4-Chlorophenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid [ACD/IUPAC Name]
{3-[(4-Chlorphenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}essigsäure [German] [ACD/IUPAC Name]
1H-1-Benzazepine-1-acetic acid, 3-[(4-chlorophenyl)thio]-2,3,4,5-tetrahydro-2-oxo- [ACD/Index Name]
Acide {3-[(4-chlorophényl)sulfanyl]-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl}acétique [French] [ACD/IUPAC Name]
1239583-95-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 32.56
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 83 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

Click to predict properties on the Chemicalize site


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