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

(6E)-6-[3-Chloro-4-(2-phenoxyethoxy)benzylidene]-2-(2-furyl)-5-imino-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 ID22824983
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E)-6-[3-Chlor-4-(2-phenoxyethoxy)benzyliden]-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-[3-Chloro-4-(2-phenoxyethoxy)benzylidene]-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-[3-Chloro-4-(2-phénoxyéthoxy)benzylidène]-2-(2-furyl)-5-imino-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-[[3-chloro-4-(2-phenoxyethoxy)phenyl]methylene]-2-(2-furanyl)-5,6-dihydro-5-imino-, (6E)- [ACD/Index Name]
6-[3-chloro-4-(2-phenoxyethoxy)benzylidene]-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1626.48
ACD/KOC (pH 5.5): 6921.65
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1626.48
ACD/KOC (pH 7.4): 6921.65
Polar Surface Area: 126 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site






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