ChemSpider 2D Image | N-Benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)sulfonyl]prolinamide | C27H26FN3O3S2

N-Benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)sulfonyl]prolinamide

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID20749284

More details:

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

2-Pyrrolidinecarboxamide, N-(4-ethyl-2-benzothiazolyl)-1-[(4-fluorophenyl)sulfonyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)sulfonyl]prolinamide [ACD/IUPAC Name]
N-Benzyl-N-(4-éthyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophényl)sulfonyl]prolinamide [French] [ACD/IUPAC Name]
N-Benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorphenyl)sulfonyl]prolinamid [German] [ACD/IUPAC Name]
N-benzyl-N-(4-ethylbenzo[d]thiazol-2-yl)-1-((4-fluorophenyl)sulfonyl)pyrrolidine-2-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10551.92
ACD/KOC (pH 5.5): 26391.00
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10554.80
ACD/KOC (pH 7.4): 26398.19
Polar Surface Area: 107 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 378.7±3.0 cm3

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