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

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

  • Molecular FormulaC22H18N6O4S2
  • Average mass494.546 Da
  • Monoisotopic mass494.083099 Da
  • ChemSpider ID22958758

  • Double-bond stereo - Double-bond stereo

More details:

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

5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 7-[[4-[(Z)-(5-imino-2-methyl-7-oxo-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy]methyl]-2-methyl- [ACD/Index Name]
7-({4-[(Z)-(5-Imino-2-methyl-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-yliden)methyl]-2-methoxyphenoxy}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
7-({4-[(Z)-(5-Imino-2-methyl-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-({4-[(Z)-(5-Imino-2-méthyl-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidène)méthyl]-2-méthoxyphénoxy}méthyl)-2-méthyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
7-[4-(5-Imino-2-methyl-7-oxo-7H-thiazolo[3,2-a]pyrimidin-6-ylidenemethyl)-2-methoxy-phenoxymethyl]-2-methyl-[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: 672.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±34.3 °C
Index of Refraction: 1.777
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 111.28
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 111.28
Polar Surface Area: 171 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 310.2±7.0 cm3

Click to predict properties on the Chemicalize site


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