2-(2,2-diphenylethyl)-4-methanesulfonylmorpholine

• ChemBase ID: 641288
• Molecular Formular: C19H23NO3S
• Molecular Mass: 345.45582
• Monoisotopic Mass: 345.1398646
• SMILES: S(=O)(=O)(N1CC(CC(c2ccccc2)c2ccccc2)OCC1)C
• Canonical SMILES: CS(=O)(=O)N1CCOC(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H23NO3S/c1-24(21,22)20-12-13-23-18(15-20)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
• InChIKey: ZQZZRUXHALKMOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-diphenylethyl)-4-methanesulfonylmorpholine
• IUPAC Traditional name: 2-(2,2-diphenylethyl)-4-methanesulfonylmorpholine
• Synonyms: 2-(2,2-diphenylethyl)-4-(methylsulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6318953
• LogD (pH = 7.4): 2.6318953
• Log P: 2.6318953
• Molar Refractivity: 95.2172 cm^3
• Polarizability: 38.00507 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.51
• LOG S: -3.56
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4