ChemSpider 2D Image | (6E)-6-{4-[(2,6-Dichlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C20H14Cl2N4O3S

(6E)-6-{4-[(2,6-Dichlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC20H14Cl2N4O3S
  • Average mass461.321 Da
  • Monoisotopic mass460.016357 Da
  • ChemSpider ID22825062

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{4-[(2,6-Dichlorbenzyl)oxy]-3-methoxybenzyliden}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-{4-[(2,6-Dichlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{4-[(2,6-Dichlorobenzyl)oxy]-3-méthoxybenzylidène}-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-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-, (6E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.7±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 944.14
ACD/KOC (pH 5.5): 4689.56
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 944.14
ACD/KOC (pH 7.4): 4689.56
Polar Surface Area: 113 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 299.8±7.0 cm3

Click to predict properties on the Chemicalize site


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