1-[2-(2,2-diphenylethyl)morpholin-4-yl]-4-methylpentane-1,2-dione

• ChemBase ID: 721962
• Molecular Formular: C24H29NO3
• Molecular Mass: 379.49196
• Monoisotopic Mass: 379.21474379
• SMILES: N1(C(=O)C(=O)CC(C)C)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: CC(CC(=O)C(=O)N1CCOC(C1)CC(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C24H29NO3/c1-18(2)15-23(26)24(27)25-13-14-28-21(17-25)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3
• InChIKey: NWHFMPCAKBYPIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,2-diphenylethyl)morpholin-4-yl]-4-methylpentane-1,2-dione
• IUPAC Traditional name: 1-[2-(2,2-diphenylethyl)morpholin-4-yl]-4-methylpentane-1,2-dione
• Synonyms: 1-[2-(2,2-diphenylethyl)-4-morpholinyl]-4-methyl-1-oxo-2-pentanone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8581996
• LogD (pH = 7.4): 4.8581996
• Log P: 4.8581996
• Molar Refractivity: 110.7387 cm^3
• Polarizability: 43.19194 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.54
• LOG S: -4.99
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7