ChemSpider 2D Image | (2r)-2-{4-Hydroxy-5-Methoxy-2-[3-(4-Methylpiperazin-1-Yl)propyl]phenyl}-3-Pyridin-3-Yl-1,3-Thiazolidin-4-One | C23H30N4O3S

(2r)-2-{4-Hydroxy-5-Methoxy-2-[3-(4-Methylpiperazin-1-Yl)propyl]phenyl}-3-Pyridin-3-Yl-1,3-Thiazolidin-4-One

  • Molecular FormulaC23H30N4O3S
  • Average mass442.574 Da
  • Monoisotopic mass442.203857 Da
  • ChemSpider ID25060541

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{4-Hydroxy-5-methoxy-2-[3-(4-methyl-1-piperazinyl)propyl]phenyl}-3-(3-pyridinyl)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2R)-2-{4-Hydroxy-5-methoxy-2-[3-(4-methyl-1-piperazinyl)propyl]phenyl}-3-(3-pyridinyl)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2R)-2-{4-Hydroxy-5-méthoxy-2-[3-(4-méthyl-1-pipérazinyl)propyl]phényl}-3-(3-pyridinyl)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
(2r)-2-{4-Hydroxy-5-Methoxy-2-[3-(4-Methylpiperazin-1-Yl)propyl]phenyl}-3-Pyridin-3-Yl-1,3-Thiazolidin-4-One
4-Thiazolidinone, 2-[4-hydroxy-5-methoxy-2-[3-(4-methyl-1-piperazinyl)propyl]phenyl]-3-(3-pyridinyl)-, (2R)- [ACD/Index Name]

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

096 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 26.42
Polar Surface Area: 94 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 353.7±3.0 cm3

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