ChemSpider 2D Image | MFCD03418498 | C31H28N4O2S2

MFCD03418498

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID22834554

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(E)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-2-(4-benzyl-1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-[(E)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzyl-1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[(E)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-2-(4-benzyl-1-pipéridinyl)-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[4-oxo-3-(phenylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]-2-[4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]
MFCD03418498

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.4±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.51
ACD/KOC (pH 5.5): 2419.29
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.52
ACD/KOC (pH 7.4): 2419.37
Polar Surface Area: 114 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 414.6±7.0 cm3

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