ChemSpider 2D Image | (6Z)-6-{[5-(4-Bromophenyl)-2-furyl]methylene}-2-(ethylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C18H13BrN4O4S2

(6Z)-6-{[5-(4-Bromophenyl)-2-furyl]methylene}-2-(ethylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC18H13BrN4O4S2
  • Average mass493.354 Da
  • Monoisotopic mass491.956146 Da
  • ChemSpider ID25983376

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{[5-(4-Bromophenyl)-2-furyl]methylene}-2-(ethylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{[5-(4-Bromophényl)-2-furyl]méthylène}-2-(éthylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
(6Z)-6-{[5-(4-Bromphenyl)-2-furyl]methylen}-2-(ethylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(4-bromophenyl)-2-furanyl]methylene]-2-(ethylsulfonyl)-5,6-dihydro-5-imino-, (6Z)- [ACD/Index Name]
6-[5-(4-Bromo-phenyl)-furan-2-ylmethylene]-2-ethanesulfonyl-5-imino-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, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 616.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.770
Molar Refractivity: 114.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.35
ACD/KOC (pH 5.5): 818.18
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.35
ACD/KOC (pH 7.4): 818.18
Polar Surface Area: 150 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 275.4±7.0 cm3

Click to predict properties on the Chemicalize site


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