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Search term: SRKVUFVTSRBFFN-WZONZLPQSA-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)-8-quinolinecarboxamide | C28H28N4O2S

N-({(2S,3R)-3-Methyl-1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}methyl)-8-quinolinecarboxamide

  • Molecular FormulaC28H28N4O2S
  • Average mass484.612 Da
  • Monoisotopic mass484.193298 Da
  • ChemSpider ID28505226

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

8-Quinolinecarboxamide, 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)-8-chinolincarboxamid [German] [ACD/IUPAC Name]
N-({(2S,3R)-3-Méthyl-1-[(2-méthyl-5-phényl-1,3-thiazol-4-yl)carbonyl]-2-pipéridinyl}méthyl)-8-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-({(2S,3R)-3-Methyl-1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}methyl)-8-quinolinecarboxamide [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: 760.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.4±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 685.99
ACD/KOC (pH 5.5): 3725.56
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 689.55
ACD/KOC (pH 7.4): 3744.90
Polar Surface Area: 103 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

Click to predict properties on the Chemicalize site


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