ChemSpider 2D Image | 7-{[(3,5-Dichlorophenyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one | C14H12Cl2N4OS

7-{[(3,5-Dichlorophenyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC14H12Cl2N4OS
  • Average mass355.242 Da
  • Monoisotopic mass354.010895 Da
  • ChemSpider ID22060130

More details:

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

5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 7-[[(3,5-dichlorophenyl)amino]methyl]-2-ethyl- [ACD/Index Name]
7-{[(3,5-Dichlorophenyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-{[(3,5-Dichlorophényl)amino]méthyl}-2-éthyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
7-{[(3,5-Dichlorphenyl)amino]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC 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: 532.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.0±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 90.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 243.64
ACD/KOC (pH 5.5): 1777.35
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 244.17
ACD/KOC (pH 7.4): 1781.21
Polar Surface Area: 82 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 226.9±7.0 cm3

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