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Search term: JWOBZHZZGZRCDS-UHFFFAOYAO (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[4-(2-Hydroxyethyl)-1-piperazinyl]-9-methyl-3-[(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one | C24H31N5O3S2

2-[4-(2-Hydroxyethyl)-1-piperazinyl]-9-methyl-3-[(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC24H31N5O3S2
  • Average mass501.665 Da
  • Monoisotopic mass501.186829 Da
  • ChemSpider ID2812828

More details:

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

2-[4-(2-Hydroxyethyl)-1-piperazinyl]-9-methyl-3-[(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-[4-(2-Hydroxyethyl)-1-piperazinyl]-9-methyl-3-[(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-9-méthyl-3-[(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[4-(2-hydroxyethyl)-1-piperazinyl]-9-methyl-3-[(4-oxo-3-pentyl-2-thioxo-5-thiazolidinylidene)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: 568.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 297.4±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 139.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.70
Polar Surface Area: 137 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 365.6±7.0 cm3

Click to predict properties on the Chemicalize site


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