ChemSpider 2D Image | (6E)-6-{[5-(3-Chloro-4-methoxyphenyl)-2-furyl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C24H17ClN4O4S

(6E)-6-{[5-(3-Chloro-4-methoxyphenyl)-2-furyl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC24H17ClN4O4S
  • Average mass492.934 Da
  • Monoisotopic mass492.065918 Da
  • ChemSpider ID21811752
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E)-6-{[5-(3-Chlor-4-methoxyphenyl)-2-furyl]methylen}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-{[5-(3-Chloro-4-methoxyphenyl)-2-furyl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{[5-(3-Chloro-4-méthoxyphényl)-2-furyl]méthylène}-5-imino-2-(phénoxyméthyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(3-chloro-4-methoxyphenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(phenoxymethyl)-, (6E)- [ACD/Index Name]
6-[5-(3-Chloro-4-methoxy-phenyl)-furan-2-ylmethylene]-5-imino-2-phenoxymethyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 642.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1333.87
ACD/KOC (pH 5.5): 6005.58
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1333.87
ACD/KOC (pH 7.4): 6005.58
Polar Surface Area: 126 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 332.6±7.0 cm3

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