ChemSpider 2D Image | 3-[(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C30H35N5O3S2

3-[(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC30H35N5O3S2
  • Average mass577.761 Da
  • Monoisotopic mass577.218140 Da
  • ChemSpider ID2729515

More details:

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

3-[(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-[(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-2-[4-(2-méthoxyphényl)-1-pipérazinyl]-7-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(3-hexyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-7-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 164.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 4.49
ACD/KOC (pH 5.5): 27.80
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 18.27
ACD/KOC (pH 7.4): 113.08
Polar Surface Area: 126 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 441.7±7.0 cm3

Click to predict properties on the Chemicalize site


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