ChemSpider 2D Image | Ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

Ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID3266453

More details:

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

5-[4-(Diméthylamino)phényl]-7-méthyl-2-[(6-méthyl-1,3-benzodioxol-5-yl)méthylène]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(dimethylamino)phenyl]-2,3-dihydro-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylen]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 138.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 729.55
ACD/KOC (pH 5.5): 3777.45
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 814.49
ACD/KOC (pH 7.4): 4217.24
Polar Surface Area: 106 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 374.6±7.0 cm3

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