ChemSpider 2D Image | N-{[(2S)-1-{[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}-2-piperidinyl]methyl}-1-benzofuran-4-carboxamide | C26H24FN3O3S

N-{[(2S)-1-{[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}-2-piperidinyl]methyl}-1-benzofuran-4-carboxamide

  • Molecular FormulaC26H24FN3O3S
  • Average mass477.551 Da
  • Monoisotopic mass477.152252 Da
  • ChemSpider ID25069706
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-Benzofurancarboxamide, N-[[(2S)-1-[[5-(4-fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]- [ACD/Index Name]
N-{[(2S)-1-{[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}-2-piperidinyl]methyl}-1-benzofuran-4-carboxamide [ACD/IUPAC Name]
N-{[(2S)-1-{[5-(4-Fluorophényl)-2-méthyl-1,3-thiazol-4-yl]carbonyl}-2-pipéridinyl]méthyl}-1-benzofurane-4-carboxamide [French] [ACD/IUPAC Name]
N-{[(2S)-1-{[5-(4-Fluorphenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}-2-piperidinyl]methyl}-1-benzofuran-4-carboxamid [German] [ACD/IUPAC Name]
(S)-2-[[[(Benzofuran-4-yl)carbonyl]amino]methyl]-1-[[2-methyl-5-(4-fluorophenyl)-4-thiazolyl]carbonyl]piperidine
(S)-N-((1-(5-(4-fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide
380899-24-1 [RN]
N-{[(2S)-1-{[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}piperidin-2-yl]methyl}-1-benzofuran-4-carboxamide
SB-649868

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 725.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.3±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.05
ACD/KOC (pH 5.5): 2603.93
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.10
ACD/KOC (pH 7.4): 2604.23
Polar Surface Area: 104 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 365.7±3.0 cm3

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