ChemSpider 2D Image | 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-3-{[(1,3-benzodioxol-5-ylmethyl)imino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one | C25H20N4O5

2-[(1,3-Benzodioxol-5-ylmethyl)amino]-3-{[(1,3-benzodioxol-5-ylmethyl)imino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC25H20N4O5
  • Average mass456.450 Da
  • Monoisotopic mass456.143372 Da
  • ChemSpider ID35380408

More details:

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

2-[(1,3-Benzodioxol-5-ylmethyl)amino]-3-{[(1,3-benzodioxol-5-ylmethyl)imino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-3-{[(1,3-benzodioxol-5-ylmethyl)imino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-[(1,3-Benzodioxol-5-ylméthyl)amino]-3-{[(1,3-benzodioxol-5-ylméthyl)imino]méthyl}-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-[[(1,3-benzodioxol-5-ylmethyl)imino]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 22.25
ACD/KOC (pH 5.5): 283.23
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.19
ACD/KOC (pH 7.4): 435.26
Polar Surface Area: 94 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

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