ChemSpider 2D Image | 2-Ethyl-7-({4-[(Z)-(5-imino-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one | C22H18N6O4S2

2-Ethyl-7-({4-[(Z)-(5-imino-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC22H18N6O4S2
  • Average mass494.546 Da
  • Monoisotopic mass494.083099 Da
  • ChemSpider ID22958736

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Ethyl-7-({4-[(Z)-(5-imino-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-yliden)methyl]-2-methoxyphenoxy}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
2-Ethyl-7-({4-[(Z)-(5-imino-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
2-Éthyl-7-({4-[(Z)-(5-imino-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidène)méthyl]-2-méthoxyphénoxy}méthyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-[[4-[(Z)-(5-imino-7-oxo-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy]methyl]- [ACD/Index Name]
2-Ethyl-7-[4-(5-imino-7-oxo-7H-thiazolo[3,2-a]pyrimidin-6-ylidenemethyl)-2-methoxy-phenoxymethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 675.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.49
ACD/KOC (pH 5.5): 117.83
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 117.83
Polar Surface Area: 171 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 311.1±7.0 cm3

Click to predict properties on the Chemicalize site


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