ChemSpider 2D Image | 4-(1-Azepanylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide | C28H30N4O3S2

4-(1-Azepanylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide

  • Molecular FormulaC28H30N4O3S2
  • Average mass534.693 Da
  • Monoisotopic mass534.175903 Da
  • ChemSpider ID18447213

More details:

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

4-(1-Azepanylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamid [German] [ACD/IUPAC Name]
4-(1-Azepanylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide [ACD/IUPAC Name]
4-(1-Azépanylsulfonyl)-N-(4-éthyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-(4-ethyl-2-benzothiazolyl)-4-[(hexahydro-1H-azepin-1-yl)sulfonyl]-N-(2-pyridinylmethyl)- [ACD/Index Name]
4-(azepan-1-ylsulfonyl)-N-(4-ethylbenzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
4-(azepane-1-sulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-2-yl)methyl]benzamide
922665-37-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.3±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6986.35
ACD/KOC (pH 5.5): 19602.49
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7042.18
ACD/KOC (pH 7.4): 19759.11
Polar Surface Area: 120 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 403.5±3.0 cm3

Click to predict properties on the Chemicalize site


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