ChemSpider 2D Image | (2R,3R)-8-Cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | C28H23NO3S

(2R,3R)-8-Cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

  • Molecular FormulaC28H23NO3S
  • Average mass453.552 Da
  • Monoisotopic mass453.139862 Da
  • ChemSpider ID25057143

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-8-Cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
(2R,3R)-8-Cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid [ACD/IUPAC Name]
(2R,3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
5H-Thiazolo[3,2-a]pyridine-3-carboxylic acid, 8-cyclopropyl-2,3-dihydro-7-(1-naphthalenylmethyl)-5-oxo-2-phenyl-, (2R,3R)- [ACD/Index Name]
Acide (2R,3R)-8-cyclopropyl-7-(1-naphtylméthyl)-5-oxo-2-phényl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
EC2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 418.0±32.9 °C
Index of Refraction: 1.751
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 77.38
ACD/KOC (pH 5.5): 156.47
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 9.89
Polar Surface Area: 83 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

Click to predict properties on the Chemicalize site


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