ChemSpider 2D Image | Methyl (3R)-8-(4-bromophenyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate | C26H20BrNO3S

Methyl (3R)-8-(4-bromophenyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

  • Molecular FormulaC26H20BrNO3S
  • Average mass506.411 Da
  • Monoisotopic mass505.034729 Da
  • ChemSpider ID24731675

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-8-(4-Bromophényl)-7-(1-naphtylméthyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyridine-3-carboxylic acid, 8-(4-bromophenyl)-2,3-dihydro-7-(1-naphthalenylmethyl)-5-oxo-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-8-(4-bromophenyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-(3R)-8-(4-bromphenyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 698.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±31.5 °C
Index of Refraction: 1.736
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35476.52
ACD/KOC (pH 5.5): 62868.25
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35476.52
ACD/KOC (pH 7.4): 62868.25
Polar Surface Area: 72 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

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