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Search term: HLIMFNHZETYUFE-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | {3-[(2,6-Dichlorophenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid | C18H15Cl2NO3S

{3-[(2,6-Dichlorophenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid

  • Molecular FormulaC18H15Cl2NO3S
  • Average mass396.288 Da
  • Monoisotopic mass395.014984 Da
  • ChemSpider ID25045035

More details:






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

{3-[(2,6-Dichlorophenyl)sulfanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid [ACD/IUPAC Name]
{3-[(2,6-Dichlorphenyl)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-[(2,6-dichlorophenyl)thio]-2,3,4,5-tetrahydro-2-oxo- [ACD/Index Name]
Acide {3-[(2,6-dichlorophényl)sulfanyl]-2-oxo-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: 1.5±0.1 g/cm3
Boiling Point: 637.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.5±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 28.00
ACD/KOC (pH 5.5): 92.89
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 3.45
Polar Surface Area: 83 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 263.4±5.0 cm3

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