ChemSpider 2D Image | (6Z)-6-{3-Chloro-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one | C20H13ClFN3O2S

(6Z)-6-{3-Chloro-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC20H13ClFN3O2S
  • Average mass413.853 Da
  • Monoisotopic mass413.040100 Da
  • ChemSpider ID22936357

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{3-Chlor-4-[(2-fluorbenzyl)oxy]benzyliden}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-{3-Chloro-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{3-Chloro-4-[(2-fluorobenzyl)oxy]benzylidène}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-, (6Z)- [ACD/Index Name]
6-[3-Chloro-4-(2-fluoro-benzyloxy)-benzylidene]-5-imino-5,6-dihydro-thiazolo[3,2-a]pyrimidin-7-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.5±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 562.55
ACD/KOC (pH 5.5): 3237.20
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 562.55
ACD/KOC (pH 7.4): 3237.20
Polar Surface Area: 91 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 283.1±7.0 cm3

Click to predict properties on the Chemicalize site


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