ChemSpider 2D Image | 1-[1-({4-[2-(4-Morpholinyl)ethoxy]-2-(2,2,2-trifluoroethoxy)phenyl}acetyl)-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazin-2-one | C29H34F3N3O6

1-[1-({4-[2-(4-Morpholinyl)ethoxy]-2-(2,2,2-trifluoroethoxy)phenyl}acetyl)-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC29H34F3N3O6
  • Average mass577.592 Da
  • Monoisotopic mass577.239990 Da
  • ChemSpider ID13715353

More details:

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

1-[1-({4-[2-(4-Morpholinyl)ethoxy]-2-(2,2,2-trifluorethoxy)phenyl}acetyl)-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
1-[1-({4-[2-(4-Morpholinyl)ethoxy]-2-(2,2,2-trifluoroethoxy)phenyl}acetyl)-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
1-[1-({4-[2-(morpholin-4-yl)ethoxy]-2-(2,2,2-trifluoroethoxy)phenyl}acetyl)piperidin-4-yl]-1,4-dihydro-2H-3,1-benzoxazin-2-one
1-[1-(2-{4-[2-(4-Morpholinyl)éthoxy]-2-(2,2,2-trifluoroéthoxy)phényl}acétyl)-4-pipéridinyl]-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-1-[1-[2-[4-[2-(4-morpholinyl)ethoxy]-2-(2,2,2-trifluoroethoxy)phenyl]acetyl]-4-piperidinyl]- [ACD/Index Name]
1-(1-{2-[4-(2-Morpholin-4-yl-ethoxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CHEMBL278818
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278818/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.8±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 39.93
ACD/KOC (pH 5.5): 259.92
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 330.51
ACD/KOC (pH 7.4): 2151.49
Polar Surface Area: 81 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 440.0±3.0 cm3

Click to predict properties on the Chemicalize site


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