2-(2,2-diphenylethyl)-4-(oxane-4-carbonyl)morpholine

• ChemBase ID: 825527
• Molecular Formular: C24H29NO3
• Molecular Mass: 379.49196
• Monoisotopic Mass: 379.21474379
• SMILES: N1(C(=O)C2CCOCC2)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: O=C(C1CCOCC1)N1CCOC(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H29NO3/c26-24(21-11-14-27-15-12-21)25-13-16-28-22(18-25)17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23H,11-18H2
• InChIKey: PEIAPIAONQYXNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-diphenylethyl)-4-(oxane-4-carbonyl)morpholine
• IUPAC Traditional name: 2-(2,2-diphenylethyl)-4-(oxane-4-carbonyl)morpholine
• Synonyms: 2-(2,2-diphenylethyl)-4-(tetrahydro-2H-pyran-4-ylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5578616
• LogD (pH = 7.4): 3.5578623
• Log P: 3.5578623
• Molar Refractivity: 110.3669 cm^3
• Polarizability: 43.081577 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.72
• LOG S: -3.91
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5