ChemSpider 2D Image | 1-Cyclopropyl-3-(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)urea | C26H33FN6O4

1-Cyclopropyl-3-(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)urea

  • Molecular FormulaC26H33FN6O4
  • Average mass512.576 Da
  • Monoisotopic mass512.254761 Da
  • ChemSpider ID76777966

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Cyclopropyl-3-(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)urea [ACD/IUPAC Name]
1-Cyclopropyl-3-(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)urée [French] [ACD/IUPAC Name]
1-Cyclopropyl-3-(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)harnstoff [German] [ACD/IUPAC Name]
Urea, N-cyclopropyl-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]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.92
ACD/KOC (pH 5.5): 1250.13
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.99
ACD/KOC (pH 7.4): 1250.68
Polar Surface Area: 109 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 377.5±5.0 cm3

Click to predict properties on the Chemicalize site


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