ChemSpider 2D Image | 1-(4-{6-Ethyl-8,8-dimethyl-2-[(3S)-3-methyl-4-morpholinyl]-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl}-2-fluorophenyl)-3-(2-methyl-4-pyridinyl)urea | C29H34FN7O4

1-(4-{6-Ethyl-8,8-dimethyl-2-[(3S)-3-methyl-4-morpholinyl]-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl}-2-fluorophenyl)-3-(2-methyl-4-pyridinyl)urea

  • Molecular FormulaC29H34FN7O4
  • Average mass563.623 Da
  • Monoisotopic mass563.265625 Da
  • ChemSpider ID76775197

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(4-{6-Ethyl-8,8-dimethyl-2-[(3S)-3-methyl-4-morpholinyl]-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl}-2-fluorophenyl)-3-(2-methyl-4-pyridinyl)urea [ACD/IUPAC Name]
1-(4-{6-Éthyl-8,8-diméthyl-2-[(3S)-3-méthyl-4-morpholinyl]-5-oxo-5,6,7,8-tétrahydropyrimido[5,4-f][1,4]oxazépin-4-yl}-2-fluorophényl)-3-(2-méthyl-4-pyridinyl)urée [French] [ACD/IUPAC Name]
1-(4-{6-Ethyl-8,8-dimethyl-2-[(3S)-3-methyl-4-morpholinyl]-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl}-2-fluorphenyl)-3-(2-methyl-4-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[4-[6-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-[(3S)-3-methyl-4-morpholinyl]-5-oxopyrimido[5,4-f][1,4]oxazepin-4-yl]-2-fluorophenyl]-N'-(2-methyl-4-pyridinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 30.85
ACD/KOC (pH 5.5): 182.56
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 421.59
ACD/KOC (pH 7.4): 2494.40
Polar Surface Area: 122 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 437.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement