ChemSpider 2D Image | 2-Methoxyethyl (2Z)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-[4-(pentyloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C29H31N3O7S

2-Methoxyethyl (2Z)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-[4-(pentyloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC29H31N3O7S
  • Average mass565.637 Da
  • Monoisotopic mass565.188293 Da
  • ChemSpider ID4815259

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-7-Méthyl-2-(3-nitrobenzylidène)-3-oxo-5-[4-(pentyloxy)phényl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-Methoxyethyl (2Z)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-[4-(pentyloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-(2Z)-7-methyl-2-(3-nitrobenzyliden)-3-oxo-5-[4-(pentyloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-5-[4-(pentyloxy)phenyl]-, 2-methoxyethyl ester, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7719.02
ACD/KOC (pH 5.5): 21101.24
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7719.02
ACD/KOC (pH 7.4): 21101.24
Polar Surface Area: 149 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 431.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement