ChemSpider 2D Image | N-[2-(Cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide | C29H36FN3O5

N-[2-(Cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

  • Molecular FormulaC29H36FN3O5
  • Average mass525.612 Da
  • Monoisotopic mass525.263916 Da
  • ChemSpider ID2439547

More details:

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

1,4-Benzodioxin-2-carboxamide, N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,3-dihydro-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-[2-(Cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(4-fluorophényl)-2-oxoéthyl]-N-[2-(4-morpholinyl)éthyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide [French] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(4-fluorphenyl)-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamid [German] [ACD/IUPAC Name]

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

ASN 04446366 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 15.19
ACD/KOC (pH 5.5): 158.41
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 66.50
ACD/KOC (pH 7.4): 693.33
Polar Surface Area: 80 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

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