ChemSpider 2D Image | 3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-1,1-dimethylurea | C33H38F2N4O3

3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-1,1-dimethylurea

  • Molecular FormulaC33H38F2N4O3
  • Average mass576.677 Da
  • Monoisotopic mass576.291199 Da
  • ChemSpider ID8091843

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

201152-86-5 [RN]
3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-1,1-dimethylurea [ACD/IUPAC Name]
3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-difluorophényl)-2-morpholinyl]éthyl}-4-phényl-4-pipéridinyl)-1,1-diméthylurée [French] [ACD/IUPAC Name]
3-(1-{2-[(2R)-4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl}-4-phenylpiperidin-4-yl)-1,1-dimethylurea
3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-difluorphenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
Urea, N'-[1-[2-[(2R)-4-benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl]-4-phenyl-4-piperidinyl]-N,N-dimethyl- [ACD/Index Name]
3-(1-{2-[(R)-4-Benzoyl-2-(3,4-difluoro-phenyl)-morpholin-2-yl]-ethyl}-4-phenyl-piperidin-4-yl)-1,1-dimethyl-urea
CHEMBL354422
SR-144190

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 159.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 8.40
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 71.22
ACD/KOC (pH 7.4): 365.75
Polar Surface Area: 65 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 450.9±5.0 cm3

Click to predict properties on the Chemicalize site


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