ChemSpider 2D Image | 2-[4-(Isopropylsulfonyl)phenyl]-N-[(2E)-3-(2-methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]acetamide | C22H26N2O6S3

2-[4-(Isopropylsulfonyl)phenyl]-N-[(2E)-3-(2-methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]acetamide

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID21050446

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[4-(Isopropylsulfonyl)phenyl]-N-[(2E)-3-(2-methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-yliden]acetamid [German] [ACD/IUPAC Name]
2-[4-(Isopropylsulfonyl)phenyl]-N-[(2E)-3-(2-methoxyethyl)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]acetamide [ACD/IUPAC Name]
2-[4-(Isopropylsulfonyl)phényl]-N-[(2E)-3-(2-méthoxyéthyl)-6-(méthylsulfonyl)-1,3-benzothiazol-2(3H)-ylidène]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[(2E)-3-(2-methoxyethyl)-6-(methylsulfonyl)-2(3H)-benzothiazolylidene]-4-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
(E)-2-(4-(isopropylsulfonyl)phenyl)-N-(3-(2-methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.2±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.01
ACD/KOC (pH 5.5): 218.43
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.01
ACD/KOC (pH 7.4): 218.43
Polar Surface Area: 152 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 371.8±7.0 cm3

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