ChemSpider 2D Image | (6E)-6-{4-[2-(4-Chloro-3-methylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C26H27ClN4O4S

(6E)-6-{4-[2-(4-Chloro-3-methylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC26H27ClN4O4S
  • Average mass527.035 Da
  • Monoisotopic mass526.144165 Da
  • ChemSpider ID21259647

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{4-[2-(4-Chlor-3-methylphenoxy)ethoxy]-3-ethoxybenzyliden}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-{4-[2-(4-Chloro-3-methylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{4-[2-(4-Chloro-3-méthylphénoxy)éthoxy]-3-éthoxybenzylidène}-5-imino-2-isopropyl-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-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6E)- [ACD/Index Name]
(6E)-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
6-{4-[2-(4-Chloro-3-methyl-phenoxy)-ethoxy]-3-ethoxy-benzylidene}-5-imino-2-isopropyl-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: 1.3±0.1 g/cm3
Boiling Point: 653.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.8±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3672.00
ACD/KOC (pH 5.5): 12397.98
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3672.00
ACD/KOC (pH 7.4): 12397.98
Polar Surface Area: 122 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 390.6±7.0 cm3

Click to predict properties on the Chemicalize site


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