ChemSpider 2D Image | 6-(3,5-Dichloro-4-hydroxybenzylidene)-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C20H14Cl2N4O3S

6-(3,5-Dichloro-4-hydroxybenzylidene)-5-imino-2-[(3-methylphenoxy)methyl]-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 ID29795406

More details:

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

6-(3,5-Dichlor-4-hydroxybenzyliden)-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
6-(3,5-Dichloro-4-hydroxybenzylidene)-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
6-(3,5-Dichloro-4-hydroxybenzylidène)-5-imino-2-[(3-méthylphénoxy)méthyl]-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-[(3,5-dichloro-4-hydroxyphenyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 596.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.7±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1108.21
ACD/KOC (pH 5.5): 5060.82
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 102.09
ACD/KOC (pH 7.4): 466.21
Polar Surface Area: 124 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 290.6±7.0 cm3

Click to predict properties on the Chemicalize site


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