Found 217 results

Search term: MF = 'C_{26}H_{21}ClN_{2}O_{2}S'
ChemSpider 2D Image | (2Z)-2-(3-Chlorobenzylidene)-6-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-one | C26H21ClN2O2S

(2Z)-2-(3-Chlorobenzylidene)-6-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC26H21ClN2O2S
  • Average mass460.975 Da
  • Monoisotopic mass460.101227 Da
  • ChemSpider ID22950519

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3-Chlorbenzyliden)-6-(3,4-dihydro-2(1H)-isochinolinylcarbonyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
(2Z)-2-(3-Chlorobenzylidène)-6-(3,4-dihydro-2(1H)-isoquinoléinylcarbonyl)-4-méthyl-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
(2Z)-2-(3-Chlorobenzylidene)-6-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
2H-1,4-Benzothiazin-3(4H)-one, 2-[(3-chlorophenyl)methylene]-6-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-4-methyl-, (2Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.705
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1088.83
ACD/KOC (pH 5.5): 5193.44
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1088.83
ACD/KOC (pH 7.4): 5193.44
Polar Surface Area: 66 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 337.9±3.0 cm3

Click to predict properties on the Chemicalize site


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