ChemSpider 2D Image | N-[2-(Cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide | C32H36N2O5

N-[2-(Cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID2443767

More details:

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

1,4-Benzodioxin-6-carboxamide, N-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-2,3-dihydro- [ACD/Index Name]
N-[2-(Cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamid [German] [ACD/IUPAC Name]
N-[2-(Cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide [ACD/IUPAC Name]
N-[2-(Cyclopentylamino)-1-(4-éthoxyphényl)-2-oxoéthyl]-N-(3,5-diméthylphényl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide [French] [ACD/IUPAC Name]

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

ASN 04936387 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3611.48
ACD/KOC (pH 5.5): 12251.39
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3611.48
ACD/KOC (pH 7.4): 12251.39
Polar Surface Area: 77 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 423.6±5.0 cm3

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