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Search term: ZSFKTFCHCZQVDT-VGOFRKELSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-({(2S,3R)-3-Methyl-1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}methyl)-1-benzofuran-4-carboxamide | C27H27N3O3S

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

  • Molecular FormulaC27H27N3O3S
  • Average mass473.587 Da
  • Monoisotopic mass473.177307 Da
  • ChemSpider ID28506094

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Benzofurancarboxamide, N-[[(2S,3R)-3-methyl-1-[(2-methyl-5-phenyl-4-thiazolyl)carbonyl]-2-piperidinyl]methyl]- [ACD/Index Name]
N-({(2S,3R)-3-Methyl-1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}methyl)-1-benzofuran-4-carboxamid [German] [ACD/IUPAC Name]
N-({(2S,3R)-3-Methyl-1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}methyl)-1-benzofuran-4-carboxamide [ACD/IUPAC Name]
N-({(2S,3R)-3-Méthyl-1-[(2-méthyl-5-phényl-1,3-thiazol-4-yl)carbonyl]-2-pipéridinyl}méthyl)-1-benzofurane-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.6±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 718.17
ACD/KOC (pH 5.5): 3855.38
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 718.28
ACD/KOC (pH 7.4): 3856.01
Polar Surface Area: 104 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

Click to predict properties on the Chemicalize site


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