ChemSpider 2D Image | 4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[(2E)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]benzamide | C26H26N4O6S3

4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[(2E)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]benzamide

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID3403550

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3,4-Dihydro-2(1H)-isochinolinylsulfonyl)-N-[(2E)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-yliden]benzamid [German] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)-N-[(2E)-3-(2-méthoxyéthyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidène]benzamide [French] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[(2E)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]benzamide [ACD/IUPAC Name]
Benzamide, N-[(2E)-6-(aminosulfonyl)-3-(2-methoxyethyl)-2(3H)-benzothiazolylidene]-4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]- [ACD/Index Name]

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

MLS000697148 [DBID]
SMR000237861 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.2±37.1 °C
Index of Refraction: 1.709
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.50
ACD/KOC (pH 5.5): 1162.32
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.38
ACD/KOC (pH 7.4): 1152.67
Polar Surface Area: 182 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 388.9±7.0 cm3

Click to predict properties on the Chemicalize site


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