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Search term: HJCLATXFJKXQMB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]sulfanyl}benzoic acid | C19H17NO5S

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

  • Molecular FormulaC19H17NO5S
  • Average mass371.407 Da
  • Monoisotopic mass371.082733 Da
  • ChemSpider ID25033840

More details:

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

1H-1-Benzazepine-1-acetic acid, 3-[(4-carboxyphenyl)thio]-2,3,4,5-tetrahydro-2-oxo- [ACD/Index Name]
4-{[1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]sulfanyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]sulfanyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[1-(carboxyméthyl)-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]sulfanyl}benzoïque [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: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 251.6±5.0 cm3

Click to predict properties on the Chemicalize site


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