ChemSpider 2D Image | 1-{2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl}-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide | C24H31N3O3

1-{2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl}-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide

  • Molecular FormulaC24H31N3O3
  • Average mass409.521 Da
  • Monoisotopic mass409.236542 Da
  • ChemSpider ID13682879

More details:

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

1-{2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl}-N-methyl-3,4-dihydro-1H-isochromen-6-carboxamid [German] [ACD/IUPAC Name]
1-{2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl}-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide [ACD/IUPAC Name]
1-{2-[4-(4-Méthoxyphényl)-1-pipérazinyl]éthyl}-N-méthyl-3,4-dihydro-1H-isochromène-6-carboxamide [French] [ACD/IUPAC Name]
1H-2-Benzopyran-6-carboxamide, 3,4-dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl- [ACD/Index Name]
1-[2-[4-(4-Methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
187665-60-7 [RN]
PNU 109291
PNU109291

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.97
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 31.25
ACD/KOC (pH 7.4): 348.14
Polar Surface Area: 54 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 358.0±3.0 cm3

Click to predict properties on the Chemicalize site


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