ChemSpider 2D Image | (4R)-4-(4-Methoxyphenyl)-7,7-dimethyl-2-{(E)-[(4-methyl-1-piperazinyl)methylene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile | C25H30N4O3

(4R)-4-(4-Methoxyphenyl)-7,7-dimethyl-2-{(E)-[(4-methyl-1-piperazinyl)methylene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

  • Molecular FormulaC25H30N4O3
  • Average mass434.531 Da
  • Monoisotopic mass434.231781 Da
  • ChemSpider ID62408705

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(4-Methoxyphenyl)-7,7-dimethyl-2-{(E)-[(4-methyl-1-piperazinyl)methylen]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-carbonitril [German] [ACD/IUPAC Name]
(4R)-4-(4-Methoxyphenyl)-7,7-dimethyl-2-{(E)-[(4-methyl-1-piperazinyl)methylene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile [ACD/IUPAC Name]
(4R)-4-(4-Méthoxyphényl)-7,7-diméthyl-2-{(E)-[(4-méthyl-1-pipérazinyl)méthylène]amino}-5-oxo-5,6,7,8-tétrahydro-4H-chromène-3-carbonitrile [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-carbonitrile, 5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7,7-dimethyl-2-[[(1E)-(4-methyl-1-piperazinyl)methylene]amino]-5-oxo-, (4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.1±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 7.60
ACD/KOC (pH 7.4): 75.04
Polar Surface Area: 78 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 355.9±7.0 cm3

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