ChemSpider 2D Image | 2-(2-Chlorophenyl)-7-({4-[(4-methoxyphenoxy)acetyl]-1-piperazinyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one | C25H24ClN5O4S

2-(2-Chlorophenyl)-7-({4-[(4-methoxyphenoxy)acetyl]-1-piperazinyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC25H24ClN5O4S
  • Average mass526.007 Da
  • Monoisotopic mass525.123779 Da
  • ChemSpider ID28350228

More details:

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

2-(2-Chlorophenyl)-7-({4-[(4-methoxyphenoxy)acetyl]-1-piperazinyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
2-(2-Chlorophényl)-7-({4-[2-(4-méthoxyphénoxy)acétyl]-1-pipérazinyl}méthyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
2-(2-Chlorphenyl)-7-({4-[(4-methoxyphenoxy)acetyl]-1-piperazinyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-(2-chlorophenyl)-7-[[4-[2-(4-methoxyphenoxy)acetyl]-1-piperazinyl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 10.30
ACD/KOC (pH 5.5): 130.78
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.73
ACD/KOC (pH 7.4): 428.30
Polar Surface Area: 112 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 364.2±7.0 cm3

Click to predict properties on the Chemicalize site


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