N-[(2R,4R,6S)-2-phenyl-6-[4-(pyridin-2-yl)phenyl]oxan-4-yl]acetamide

• ChemBase ID: 357650
• Molecular Formular: C24H24N2O2
• Molecular Mass: 372.45956
• Monoisotopic Mass: 372.18377802
• SMILES: O1[C@@H](C[C@@H](C[C@@H]1c1ccccc1)NC(=O)C)c1ccc(c2ncccc2)cc1
• Canonical SMILES: CC(=O)N[C@H]1C[C@H](O[C@H](C1)c1ccccc1)c1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C24H24N2O2/c1-17(27)26-21-15-23(19-7-3-2-4-8-19)28-24(16-21)20-12-10-18(11-13-20)22-9-5-6-14-25-22/h2-14,21,23-24H,15-16H2,1H3,(H,26,27)/t21-,23-,24+/m1/s1
• InChIKey: QMGGENLEOMLAMV-JRFVFWCSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-phenyl-6-[4-(pyridin-2-yl)phenyl]oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-phenyl-6-[4-(pyridin-2-yl)phenyl]oxan-4-yl]acetamide
• Synonyms: N-[(2R*,4R*,6S*)-2-phenyl-6-(4-pyridin-2-ylphenyl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.613101
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.504787
• LogD (pH = 7.4): 3.5380156
• Log P: 3.5384574
• Molar Refractivity: 109.011 cm^3
• Polarizability: 44.079754 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.27
• LOG S: -3.85
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4